CHARMM-GUI Archive - COVID-19 Proteins Library
This archive currently contains simulation systems related to COVID-19 proteins.
Please note that
S. Jo, T. Kim, V.G. Iyer, and W. Im (2008)
CHARMM-GUI: A Web-based Graphical User Interface for CHARMM. J. Comput. Chem. 29:1859-1865
H. Woo, S-J. Park, Y.K. Choi, T. Park, M. Tanveer, Y. Cao, N.R. Kern, J. Lee, M.S. Yeom, T.I. Croll, C. Seok, and W. Im (2020)
Developing a Fully-glycosylated Full-length SARS-CoV-2 Spike Protein Model in a Viral Membrane. J. Phys. Chem. B. 124:7128–7137
Y.K. Choi, Y. Cao, M. Frank, H. Woo, S-J. Park, M.S. Yeom, T.I. Croll, C. Seok, W. Im (2021)
Structure, Dynamics, Receptor Binding, and Antibody Binding of Fully-glycosylated Full-length SARS-CoV-2 Spike Protein in a Viral Membrane. J. Chem. Theory Comput. 17:2479-2487
Y. Cao, Y.K. Choi, M. Frank, H. Woo, S.-J. Park, M.S. Yeom, C. Seok, and W. Im (2021)
Dynamic Interactions of Fully-glycosylated SARS-CoV-2 Spike Protein with Various Antibodies. J. Chem. Theory Comput. 17:6559-6569
Please note that
- it is your responsibility to use these systems for your study
- these systems were generated mostly using Solution Builder or Membrane Builder
- the standard protonation state corresponding to pH 7 was used for all titratable residues
- 150 mM KCl solution was used for bulk
- unless specified explicitly, temperature was set to 303.15K
- equilibration was not performed
- detailed information on each system can be obtained from sysinfo
- you can download the initial simulation structure (PDB File)
- you can also download the entire files including inputs, outputs, and coordinates (Tarball)
- equilibration and production inputs are provided for simulation with CHARMM, NAMD, Gromacs, Amber, GENESIS, OpenMM using the CHARMM force field
- hydrogen mass repartitioning (HMR) was used for 4-fs time-step
S. Jo, T. Kim, V.G. Iyer, and W. Im (2008)
CHARMM-GUI: A Web-based Graphical User Interface for CHARMM. J. Comput. Chem. 29:1859-1865
H. Woo, S-J. Park, Y.K. Choi, T. Park, M. Tanveer, Y. Cao, N.R. Kern, J. Lee, M.S. Yeom, T.I. Croll, C. Seok, and W. Im (2020)
Developing a Fully-glycosylated Full-length SARS-CoV-2 Spike Protein Model in a Viral Membrane. J. Phys. Chem. B. 124:7128–7137
Y.K. Choi, Y. Cao, M. Frank, H. Woo, S-J. Park, M.S. Yeom, T.I. Croll, C. Seok, W. Im (2021)
Structure, Dynamics, Receptor Binding, and Antibody Binding of Fully-glycosylated Full-length SARS-CoV-2 Spike Protein in a Viral Membrane. J. Chem. Theory Comput. 17:2479-2487
Y. Cao, Y.K. Choi, M. Frank, H. Woo, S.-J. Park, M.S. Yeom, C. Seok, and W. Im (2021)
Dynamic Interactions of Fully-glycosylated SARS-CoV-2 Spike Protein with Various Antibodies. J. Chem. Theory Comput. 17:6559-6569
• Fully-glycosylated full-length S protein models (read the above reference and watch this video demo first!)
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6VSB 6VXX 1_1_1 Dimension: 252.4 X 252.4 X 383.5sysinfo
Number of total atoms: 2343394
Number of lipidtop: 1200
Number of lipidbot: 1150
Number of water molecules: 668899
Number of K+/CL- ions: 2128 / 1857PDB File Tarball dcd xtc Dimension: 252.4 X 252.4 X 370.0sysinfo
Number of total atoms: 2260694
Number of lipidtop: 1200
Number of lipidbot: 1150
Number of water molecules: 641385
Number of K+/CL- ions: 2049 / 1778PDB File Tarball dcd xtc 1_1_2 Dimension: 254.5 X 254.5 X 385.0sysinfo
Number of total atoms: 2390971
Number of lipidtop: 1200
Number of lipidbot: 1150
Number of water molecules: 682889
Number of K+/CL- ions: 2174 / 1898PDB File Tarball dcd xtc Dimension: 254.5 X 254.5 X 371.0sysinfo
Number of total atoms: 2307119
Number of lipidtop: 1200
Number of lipidbot: 1200
Number of water molecules: 654993
Number of K+/CL- ions: 2092 / 1816PDB File Tarball dcd xtc 1_2_1 Dimension: 252.4 X 252.4 X 386.4sysinfo
Number of total atoms: 2363711
Number of lipidtop: 1200
Number of lipidbot: 1150
Number of water molecules: 675660
Number of K+/CL- ions: 2145 / 1874PDB File Tarball dcd xtc Dimension: 252.5 X 252.5 X 372.4sysinfo
Number of total atoms: 2281713
Number of lipidtop: 1200
Number of lipidbot: 1150
Number of water molecules: 648380
Number of K+/CL- ions: 2066 / 1795PDB File Tarball dcd xtc 1_2_2 Dimension: 254.6 X 254.6 X 387.6sysinfo
Number of total atoms: 2411041
Number of lipidtop: 1200
Number of lipidbot: 1200
Number of water molecules: 689569
Number of K+/CL- ions: 2189 / 1913PDB File Tarball dcd xtc Dimension: 254.6 X 254.6 X 373.7sysinfo
Number of total atoms: 2326964
Number of lipidtop: 1200
Number of lipidbot: 1200
Number of water molecules: 661596
Number of K+/CL- ions: 2110 / 1834PDB File Tarball dcd xtc 2_1_1 Dimension: 252.4 X 252.4 X 394.0sysinfo
Number of total atoms: 2417135
Number of lipidtop: 1200
Number of lipidbot: 1150
Number of water molecules: 693440
Number of K+/CL- ions: 2187 / 1916PDB File Tarball dcd xtc Dimension: 252.3 X 252.3 X 379.8sysinfo
Number of total atoms: 2324002
Number of lipidtop: 1200
Number of lipidbot: 1150
Number of water molecules: 662449
Number of K+/CL- ions: 2107 / 1836PDB File Tarball dcd xtc 2_1_2 Dimension: 254.5 X 254.5 X 396.2sysinfo
Number of total atoms: 2470941
Number of lipidtop: 1200
Number of lipidbot: 1200
Number of water molecules: 709503
Number of K+/CL- ions: 2238 / 1962PDB File Tarball dcd xtc Dimension: 254.4 X 254.4 X 381.6sysinfo
Number of total atoms: 2371405
Number of lipidtop: 1200
Number of lipidbot: 1200
Number of water molecules: 676381
Number of K+/CL- ions: 2153 / 1877PDB File Tarball dcd xtc 2_2_1 Dimension: 252.3 X 252.3 X 392.6sysinfo
Number of total atoms: 2408296
Number of lipidtop: 1200
Number of lipidbot: 1150
Number of water molecules: 690499
Number of K+/CL- ions: 2179 / 1908PDB File Tarball dcd xtc Dimension: 252.4 X 252.4 X 378.0sysinfo
Number of total atoms: 2316149
Number of lipidtop: 1200
Number of lipidbot: 1150
Number of water molecules: 659838
Number of K+/CL- ions: 2097 / 1826PDB File Tarball dcd xtc 2_2_2 Dimension: 254.5 X 254.5 X 394.0sysinfo
Number of total atoms: 2454598
Number of lipidtop: 1200
Number of lipidbot: 1200
Number of water molecules: 704064
Number of K+/CL- ions: 2225 / 1949PDB File Tarball dcd xtc Dimension: 254.4 X 254.4 X 379.8sysinfo
Number of total atoms: 2363342
Number of lipidtop: 1200
Number of lipidbot: 1200
Number of water molecules: 673700
Number of K+/CL- ions: 2143 / 1867PDB File Tarball dcd xtc • Fully-glycosylated full-length S protein complex models
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6VSB_1_1_1 6VXX_1_1_1 S309 (6WPT, 6WPS) PDB File PDB File H11-D4 (6Z43) PDB File PDB File ACE2 (6VW1) PDB File • Fully-glycosylated S protein head-only models (residue 1-1146)
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6VSB 6VXX 6X2B S only Dimension: 202 X 202 X 202sysinfo
Number of total atoms: 773227
Number of water molecules: 235708
Number of K+/CL- ions: 680 / 665PDB File Tarball Dimension: 201 X 201 X 201sysinfo
Number of total atoms: 762293
Number of water molecules: 232070
Number of K+/CL- ions: 670 / 655PDB File Tarball Dimension: 203 X 203 X 203sysinfo
Number of total atoms: 784751
Number of water molecules: 239531
Number of K+/CL- ions: 691 / 676PDB File Tarball S309 (6WPT, 6WPS) Dimension: 202 X 202 X 202sysinfo
Number of total atoms: 772597
Number of water molecules: 233250
Number of K+/CL- ions: 667 / 658PDB File Tarball Dimension: 212 X 212 X 212sysinfo
Number of total atoms: 898420
Number of water molecules: 273854
Number of K+/CL- ions: 776 / 770PDB File Tarball H11-D4 (6Z43) Dimension: 232 X 232 X 232sysinfo
Number of total atoms: 1176465
Number of water molecules: 367585
Number of K+/CL- ions: 1053 / 1041PDB File Tarball Dimension: 210 X 210 X 210sysinfo
Number of total atoms: 870609
Number of water molecules: 265827
Number of K+/CL- ions: 762 / 750PDB File Tarball ACE2 (6VW1) Dimension: 255 X 255 X 255sysinfo
Number of total atoms: 1564467
Number of water molecules: 495442
Number of K+/CL- ions: 1448 / 1406PDB File Tarball • Fully-glycosylated S protein (head-only) in complex with antibodies
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CCC OCC OOC OOO C105 Dimension: 245 X 245 X 245sysinfo
Number of total atoms: 1387259
Number of water molecules: 438890
Number of K+/CL- ions: 1259 / 1244PDB File Tarball dcd xtc Dimension: 241 X 241 X 241sysinfo
Number of total atoms: 1317296
Number of water molecules: 414505
Number of K+/CL- ions: 1191 / 1176PDB File Tarball dcd xtc Dimension: 239 X 239 X 239sysinfo
Number of total atoms: 1284056
Number of water molecules: 402339
Number of K+/CL- ions: 1156 / 1141PDB File Tarball dcd xtc C002 Dimension: 250 X 250 X 250sysinfo
Number of total atoms: 1476141
Number of water molecules: 466059
Number of K+/CL- ions: 1323 / 1320PDB File Tarball dcd xtc Dimension: 254 X 254 X 254sysinfo
Number of total atoms: 1543972
Number of water molecules: 488707
Number of K+/CL- ions: 1394 / 1388PDB File Tarball dcd xtc C119 Dimension: 224 X 224 X 224sysinfo
Number of total atoms: 1057437
Number of water molecules: 326759
Number of K+/CL- ions: 930 / 924PDB File Tarball dcd xtc Dimension: 237 X 237 X 237sysinfo
Number of total atoms: 1253435
Number of water molecules: 391967
Number of K+/CL- ions: 1117 / 1111PDB File Tarball dcd xtc Dimension: 233 X 233 X 233sysinfo
Number of total atoms: 1193979
Number of water molecules: 372189
Number of K+/CL- ions: 1056 / 1050PDB File Tarball dcd xtc C121 Dimension: 263 X 263 X 263sysinfo
Number of total atoms: 1720188
Number of water molecules: 547270
Number of K+/CL- ions: 1554 / 1551PDB File Tarball dcd xtc Dimension: 254 X 254 X 254sysinfo
Number of total atoms: 1544404
Number of water molecules: 488784
Number of K+/CL- ions: 1391 / 1388PDB File Tarball dcd xtc S309 Dimension: 210 X 210 X 210sysinfo
Number of total atoms: 870106
Number of water molecules: 264568
Number of K+/CL- ions: 752 / 746PDB File Tarball dcd xtc Dimension: 213 X 213 X 213sysinfo
Number of total atoms: 908307
Number of water molecules: 277324
Number of K+/CL- ions: 785 / 781PDB File Tarball dcd xtc EY6A Dimension: 231 X 231 X 231sysinfo
Number of total atoms: 1161006
Number of water molecules: 358225
Number of K+/CL- ions: 1011 / 1011PDB File Tarball dcd xtc • PDB ID: 7DMU (Structure of SARS-CoV-2 spike receptor-binding domain complexed with high affinity ACE2 mutant 3N39)
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Dimension: 131 X 131 X 131sysinfo
Number of total atoms: 211815
Number of water molecules: 66140
Number of K+/CL- ions: 214 / 187PDB File Tarball • PDB ID: 7KMB (ACE2-RBD Focused Refinement Using Symmetry Expansion of Applied C3 for Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 7.4)
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Dimension: 132 X 132 X 132sysinfo
Number of total atoms: 215889
Number of water molecules: 67589
Number of K+/CL- ions: 217 / 192PDB File Tarball • PDB ID: 7A92 (Dissociated S1 domain of SARS-CoV-2 Spike bound to ACE2 (Unmasked Refinement))
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Dimension: 184 X 184 X 184sysinfo
Number of total atoms: 586673
Number of water molecules: 188514
Number of K+/CL- ions: 563 / 538PDB File Tarball • PDB ID: 7C8D (cat ACE2 and SARS-CoV-2 RBD)
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Dimension: 131 X 131 X 131sysinfo
Number of total atoms: 212059
Number of water molecules: 66362
Number of K+/CL- ions: 199 / 188PDB File Tarball • PDB ID: 6M17 (S1 RBD + ACE2 + B0AT1 Complex in a POPC Bilayer)
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Dimension: 180.121531 X 180.121531 X 247.655395sysinfo
Number of total atoms: 161246
Number of water molecules: 199624
Number of K+/CL- ions: 619 / 547PDB File Tarball • PDB ID: 6VW1 (S1 RBD + ACE2 Complex)
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Dimension: 133 X 133 X 133sysinfo
Number of total atoms: 222317
Number of water molecules: 69679
Number of K+/CL- ions: 223 / 197PDB File Tarball • PDB ID: 6VW1 (S1 RBD + ACE2 Complex with Zn/Cl ions + N-glycan Pentasaccharide)
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Dimension: 132 X 132 X 132sysinfo
Number of total atoms: 216413
Number of water molecules: 67575
Number of K+/CL- ions: 217 / 192PDB File Tarball • PDB ID: 6ZLR (Soaking competent crystal form of the SARS-CoV-2 Receptor Binding Domain (RBD):CR3022 complex)
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Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 238059
Number of water molecules: 75981
Number of K+/CL- ions: 215 / 222PDB File Tarball • PDB ID: 7B3O (Crystal structure of the SARS-CoV-2 RBD in complex with STE90-C11 Fab)
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Dimension: 134 X 134 X 134sysinfo
Number of total atoms: 227383
Number of water molecules: 72531
Number of K+/CL- ions: 206 / 213PDB File Tarball • PDB ID: 7JVB (RBD with nanobody Nb20)
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Dimension: 112 X 112 X 112sysinfo
Number of total atoms: 131961
Number of water molecules: 40753
Number of K+/CL- ions: 115 / 125PDB File Tarball • PDB ID: 7KFV (Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B12 Fab))
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Dimension: 200 X 200 X 200sysinfo
Number of total atoms: 755726
Number of water molecules: 241873
Number of K+/CL- ions: 689 / 716PDB File Tarball • PDB ID: 7KFW (Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B3 Fab))
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Dimension: 185 X 185 X 185sysinfo
Number of total atoms: 598700
Number of water molecules: 189668
Number of K+/CL- ions: 538 / 565PDB File Tarball • PDB ID: 7KFX (Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-C2 Fab))
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Dimension: 142 X 142 X 142sysinfo
Number of total atoms: 269852
Number of water molecules: 86588
Number of K+/CL- ions: 247 / 253PDB File Tarball • PDB ID: 7KFY (Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-F10 Fab))
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Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 238413
Number of water molecules: 76142
Number of K+/CL- ions: 216 / 224PDB File Tarball • PDB ID: 7CDI (Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD)
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Dimension: 135 X 135 X 135sysinfo
Number of total atoms: 232504
Number of water molecules: 74220
Number of K+/CL- ions: 211 / 217PDB File Tarball • PDB ID: 7CDJ (Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD)
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Dimension: 143 X 143 X 143sysinfo
Number of total atoms: 275837
Number of water molecules: 88617
Number of K+/CL- ions: 252 / 260PDB File Tarball • PDB ID: 7CJF (Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab)
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Dimension: 133 X 133 X 133sysinfo
Number of total atoms: 222852
Number of water molecules: 70980
Number of K+/CL- ions: 201 / 205PDB File Tarball • PDB ID: 6XKP (receptor binding domain + neutralizing antibody CV07-270)
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Dimension: 176 X 176 X 176sysinfo
Number of total atoms: 514058
Number of water molecules: 164692
Number of K+/CL- ions: 470 / 492PDB File Tarball • PDB ID: 6XKQ (receptor binding domain + neutralizing antibody CV07-250)
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Dimension: 126 X 126 X 126sysinfo
Number of total atoms: 188226
Number of water molecules: 59565
Number of K+/CL- ions: 170 / 172PDB File Tarball • PDB ID: 7JMW (spike protein receptor-binding domain + cross-neutralizing antibody COVA1-16 Fab)
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Dimension: 128 X 128 X 128sysinfo
Number of total atoms: 196934
Number of water molecules: 62245
Number of K+/CL- ions: 177 / 185PDB File Tarball • PDB ID: 7JV2 (spike + S2H13 neutralizing antibody Fab fragment)
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Dimension: 92 X 92 X 92sysinfo
Number of total atoms: 72717
Number of water molecules: 22755
Number of K+/CL- ions: 65 / 69PDB File Tarball • PDB ID: 7JVA (spike + S2A4 neutralizing antibody Fab fragment)
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Dimension: 109 X 109 X 109sysinfo
Number of total atoms: 121244
Number of water molecules: 38179
Number of K+/CL- ions: 109 / 109PDB File Tarball • PDB ID: 7JX3 (Mapping neutralizing and immunodominant sites on spike receptor-binding domain by structure-guided high-resolution serology)
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Dimension: 172 X 172 X 172sysinfo
Number of total atoms: 481211
Number of water molecules: 152550
Number of K+/CL- ions: 433 / 448PDB File Tarball • PDB ID: 7K8M (anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C110)
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Dimension: 135 X 135 X 135sysinfo
Number of total atoms: 232353
Number of water molecules: 74181
Number of K+/CL- ions: 211 / 218PDB File Tarball • PDB ID: 7K9Z (RBD + Fab fragments of neutralizing antibodies 298 and 52)
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Dimension: 168 X 168 X 168sysinfo
Number of total atoms: 448010
Number of water molecules: 143733
Number of K+/CL- ions: 409 / 420PDB File Tarball • PDB ID: 7A5S (spike and CR3022 Fab (Homogeneous Refinement))
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Dimension: 236 X 236 X 236sysinfo
Number of total atoms: 1241587
Number of water molecules: 402003
Number of K+/CL- ions: 1146 / 1158PDB File Tarball • PDB ID: 7CH4 (S RBD + BD-604 Fab)
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Dimension: 134 X 134 X 134sysinfo
Number of total atoms: 227360
Number of water molecules: 72516
Number of K+/CL- ions: 206 / 211PDB File Tarball • PDB ID: 7CH5 (S RBD + BD-629 Fab)
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Dimension: 135 X 135 X 135sysinfo
Number of total atoms: 232270
Number of water molecules: 74186
Number of K+/CL- ions: 211 / 216PDB File Tarball • PDB ID: 7CHB (RBD + BD-236 Fab)
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Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 238116
Number of water molecules: 76094
Number of K+/CL- ions: 216 / 223PDB File Tarball • PDB ID: 7CHC (S RBD + BD-629 Fab and BD-368-2 Fab)
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Dimension: 140 X 140 X 140sysinfo
Number of total atoms: 258332
Number of water molecules: 80657
Number of K+/CL- ions: 229 / 239PDB File Tarball • PDB ID: 7CHE (RBD + BD-236 Fab and BD-368-2 Fab)
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Dimension: 139 X 139 X 139sysinfo
Number of total atoms: 254248
Number of water molecules: 79280
Number of K+/CL- ions: 224 / 237PDB File Tarball • PDB ID: 7CHF (RBD + BD-604 Fab and BD-368-2 Fab)
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Dimension: 139 X 139 X 139sysinfo
Number of total atoms: 254154
Number of water molecules: 79243
Number of K+/CL- ions: 223 / 234PDB File Tarball • PDB ID: 7K45 (spike + S2E12 neutralizing antibody Fab fragment (local refinement of the RBD and Fab variable domains))
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Dimension: 116 X 116 X 116sysinfo
Number of total atoms: 146944
Number of water molecules: 46738
Number of K+/CL- ions: 133 / 138PDB File Tarball • PDB ID: 6ZH9 (Ternary complex CR3022 H11-H4 and RBD (SARS-CoV-2))
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Dimension: 172 X 172 X 172sysinfo
Number of total atoms: 481706
Number of water molecules: 156428
Number of K+/CL- ions: 445 / 455PDB File Tarball • PDB ID: 7JMO (RBD in complex with neutralizing antibody COVA2-04)
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Dimension: 134 X 134 X 134sysinfo
Number of total atoms: 227258
Number of water molecules: 72456
Number of K+/CL- ions: 206 / 213PDB File Tarball • PDB ID: 7JMP (RBD in complex with neutralizing antibody COVA2-39)
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Dimension: 147 X 147 X 147sysinfo
Number of total atoms: 299447
Number of water molecules: 96570
Number of K+/CL- ions: 276 / 285PDB File Tarball • PDB ID: 7CAH (interface of H014 Fab binds to SARS-CoV-2 S)
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Dimension: 96 X 96 X 96sysinfo
Number of total atoms: 83550
Number of water molecules: 25652
Number of K+/CL- ions: 72 / 73PDB File Tarball • PDB ID: 6ZBP (H11-H4 complex with SARS-CoV-2)
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Dimension: 117 X 117 X 117sysinfo
Number of total atoms: 151497
Number of water molecules: 48737
Number of K+/CL- ions: 138 / 145PDB File Tarball • PDB ID: 6XC2 (RBD + antibody CC12.1)
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Dimension: 172 X 172 X 172sysinfo
Number of total atoms: 481811
Number of water molecules: 153957
Number of K+/CL- ions: 438 / 454PDB File Tarball • PDB ID: 6XC3 (RBD + antibodies CC12.1 and CR3022)
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Dimension: 162 X 162 X 162sysinfo
Number of total atoms: 401821
Number of water molecules: 128295
Number of K+/CL- ions: 365 / 377PDB File Tarball • PDB ID: 6XC4 (RBD + antibody CC12.3)
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Dimension: 205 X 205 X 205sysinfo
Number of total atoms: 813342
Number of water molecules: 264250
Number of K+/CL- ions: 755 / 771PDB File Tarball • PDB ID: 6XC7 (RBD + Antibodies CC12.3 and CR3022)
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Dimension: 160 X 160 X 160sysinfo
Number of total atoms: 385501
Number of water molecules: 122859
Number of K+/CL- ions: 351 / 363PDB File Tarball • PDB ID: 6ZFO (Association of two complexes of largely structurally disordered Spike ectodomain + EY6A Fab)
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Dimension: 202 X 202 X 202sysinfo
Number of total atoms: 778254
Number of water molecules: 252544
Number of K+/CL- ions: 721 / 737PDB File Tarball • PDB ID: 6XDG (RBD + Fab fragments of REGN10933 & REGN10987)
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Dimension: 162 X 162 X 162sysinfo
Number of total atoms: 401421
Number of water molecules: 128247
Number of K+/CL- ions: 364 / 374PDB File Tarball • PDB ID: 6ZCZ (glycoprotein + EY6A Fab + nanobody)
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Dimension: 153 X 153 X 153sysinfo
Number of total atoms: 338412
Number of water molecules: 108749
Number of K+/CL- ions: 309 / 321PDB File Tarball • PDB ID: 6ZER (S1 RBD + EY6A Fab)
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Dimension: 170 X 170 X 170sysinfo
Number of total atoms: 463200
Number of water molecules: 144472
Number of K+/CL- ions: 409 / 437PDB File Tarball • PDB ID: 7C8V (sybody SR4 + S RBD)
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Dimension: 114 X 114 X 114sysinfo
Number of total atoms: 140321
Number of water molecules: 45078
Number of K+/CL- ions: 128 / 132PDB File Tarball • PDB ID: 7C8W (sybody MR17 + S RBD)
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Dimension: 113 X 113 X 113sysinfo
Number of total atoms: 135707
Number of water molecules: 43505
Number of K+/CL- ions: 124 / 125PDB File Tarball • PDB ID: 7CAN (sybody MR17-K99Y + S RBD)
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Dimension: 113 X 113 X 113sysinfo
Number of total atoms: 135696
Number of water molecules: 43508
Number of K+/CL- ions: 124 / 124PDB File Tarball • PDB ID: 6YZ5 (SARS-CoV-2 RBD + H11-D4 Nanobody)
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Dimension: 111 X 111 X 111sysinfo
Number of total atoms: 128496
Number of water molecules: 41091
Number of K+/CL- ions: 117 / 124PDB File Tarball • PDB ID: 6YZ7 (SARS-CoV-2 RBD + H11-D4 Nanobody + CR3022 Antibody ternary complex)
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Dimension: 168 X 168 X 168sysinfo
Number of total atoms: 448526
Number of water molecules: 145367
Number of K+/CL- ions: 414 / 425PDB File Tarball • PDB ID: 6Z2M (SARS-CoV-2 RBD + H11-D4 Nanobody +CR3022 Antibody ternary complex)
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Dimension: 168 X 168 X 168sysinfo
Number of total atoms: 448650
Number of water molecules: 145417
Number of K+/CL- ions: 414 / 424PDB File Tarball • PDB ID: 7BWJ (crystal structure of SARS-CoV-2 antibody with RBD)
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Dimension: 146 X 146 X 146sysinfo
Number of total atoms: 293720
Number of water molecules: 94556
Number of K+/CL- ions: 269 / 280PDB File Tarball • PDB ID: 7C01 (S1 + antibody CB6)
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Dimension: 139 X 139 X 139sysinfo
Number of total atoms: 254709
Number of water molecules: 81577
Number of K+/CL- ions: 231 / 236PDB File Tarball • PDB ID: 7BZ5 (S RBD + B38 (neutralizing antibody))
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Dimension: 133 X 133 X 133sysinfo
Number of total atoms: 222748
Number of water molecules: 70940
Number of K+/CL- ions: 201 / 208PDB File Tarball • PDB ID: 6YM0 (RBD + CR3022 Fab (crystal form 1))
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Dimension: 138 X 138 X 138sysinfo
Number of total atoms: 247407
Number of water molecules: 79096
Number of K+/CL- ions: 225 / 233PDB File Tarball • PDB ID: 6YOR (S1 + CR3022 Fab)
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Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242869
Number of water molecules: 77601
Number of K+/CL- ions: 220 / 227PDB File Tarball • PDB ID: 6W41 (receptor binding domain in complex with human antibody CR3022)
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Dimension: 138 X 138 X 138sysinfo
Number of total atoms: 247160
Number of water molecules: 79009
Number of K+/CL- ions: 225 / 231PDB File Tarball • PDB ID: 7KVG (SARS-CoV-2 Main protease C145S mutant in complex with N and C-terminal residues)
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Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112041
Number of water molecules: 34159
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 7L5D (The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108557
Number of water molecules: 33007
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 7A1U (Structure of SARS-CoV-2 Main Protease bound to Fusidic Acid)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114454
Number of water molecules: 34916
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 7ABU (Structure of SARS-CoV-2 Main Protease bound to RS102895)
-
Dimension: 98 X 98 X 98sysinfo
Number of total atoms: 88810
Number of water molecules: 27980
Number of K+/CL- ions: 84 / 79PDB File Tarball • PDB ID: 7AF0 (Structure of SARS-CoV-2 Main Protease bound to Ipidacrine)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114523
Number of water molecules: 34983
Number of K+/CL- ions: 109 / 99PDB File Tarball • PDB ID: 7AGA (Structure of SARS-CoV-2 Main Protease bound to AT7519)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114461
Number of water molecules: 34943
Number of K+/CL- ions: 111 / 99PDB File Tarball • PDB ID: 7AHA (Structure of SARS-CoV-2 Main Protease bound to Maleate)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114566
Number of water molecules: 34998
Number of K+/CL- ions: 111 / 99PDB File Tarball • PDB ID: 7AK4 (Structure of SARS-CoV-2 Main Protease bound to Tretazicar)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102449
Number of water molecules: 30947
Number of K+/CL- ions: 100 / 88PDB File Tarball • PDB ID: 7ALH (Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup C2))
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102377
Number of water molecules: 30955
Number of K+/CL- ions: 95 / 87PDB File Tarball • PDB ID: 7ALI (Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup P2(1)))
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102546
Number of water molecules: 31005
Number of K+/CL- ions: 96 / 88PDB File Tarball • PDB ID: 7AMJ (Structure of SARS-CoV-2 Main Protease bound to PD 168568)
-
Dimension: 108 X 108 X 108sysinfo
Number of total atoms: 118473
Number of water molecules: 36273
Number of K+/CL- ions: 113 / 103PDB File Tarball • PDB ID: 7ANS (Structure of SARS-CoV-2 Main Protease bound to Adrafinil)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112057
Number of water molecules: 34141
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 7AOL (Structure of SARS-CoV-2 Main Protease bound to Climbazole)
-
Dimension: 98 X 98 X 98sysinfo
Number of total atoms: 88857
Number of water molecules: 27990
Number of K+/CL- ions: 83 / 79PDB File Tarball • PDB ID: 7AP6 (Structure of SARS-CoV-2 Main Protease bound to MUT056399)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114522
Number of water molecules: 34984
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 7APH (Structure of SARS-CoV-2 Main Protease bound to Tofogliflozin)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102458
Number of water molecules: 30932
Number of K+/CL- ions: 99 / 87PDB File Tarball • PDB ID: 7AQI (Structure of SARS-CoV-2 Main Protease bound to Ifenprodil)
-
Dimension: 98 X 98 X 98sysinfo
Number of total atoms: 88835
Number of water molecules: 27997
Number of K+/CL- ions: 83 / 79PDB File Tarball • PDB ID: 7AQJ (Structure of SARS-CoV-2 Main Protease bound to Triglycidyl isocyanurate)
-
Dimension: 104 X 104 X 104sysinfo
Number of total atoms: 105227
Number of water molecules: 31879
Number of K+/CL- ions: 98 / 90PDB File Tarball • PDB ID: 7AR6 (Structure of apo SARS-CoV-2 Main Protease with large beta angle, space group C2)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114492
Number of water molecules: 34984
Number of K+/CL- ions: 109 / 99PDB File Tarball • PDB ID: 7AVD (Structure of SARS-CoV-2 Main Protease bound to SEN1269 ligand)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102402
Number of water molecules: 30938
Number of K+/CL- ions: 95 / 87PDB File Tarball • PDB ID: 7AWR (Structure of SARS-CoV-2 Main Protease bound to Tegafur)
-
Dimension: 98 X 98 X 98sysinfo
Number of total atoms: 88850
Number of water molecules: 28002
Number of K+/CL- ions: 83 / 79PDB File Tarball • PDB ID: 7AWS (Structure of SARS-CoV-2 Main Protease bound to TH-302)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112052
Number of water molecules: 34174
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 7AWW (Structure of SARS-CoV-2 Main Protease bound to Clonidine)
-
Dimension: 98 X 98 X 98sysinfo
Number of total atoms: 88815
Number of water molecules: 27982
Number of K+/CL- ions: 83 / 79PDB File Tarball • PDB ID: 7AX6 (Structure of SARS-CoV-2 Main Protease bound to Glutathione isopropyl ester)
-
Dimension: 97 X 97 X 97sysinfo
Number of total atoms: 85425
Number of water molecules: 26847
Number of K+/CL- ions: 80 / 76PDB File Tarball • PDB ID: 7AXM (Structure of SARS-CoV-2 Main Protease bound to Pelitinib)
-
Dimension: 99 X 99 X 99sysinfo
Number of total atoms: 91085
Number of water molecules: 28726
Number of K+/CL- ions: 86 / 82PDB File Tarball • PDB ID: 7AXO (Structure of SARS-CoV-2 Main Protease bound to AR-42)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114473
Number of water molecules: 34939
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 7AY7 (Structure of SARS-CoV-2 Main Protease bound to Isofloxythepin)
-
Dimension: 98 X 98 X 98sysinfo
Number of total atoms: 88871
Number of water molecules: 27997
Number of K+/CL- ions: 83 / 79PDB File Tarball • PDB ID: 7KPH (SARS-CoV-2 Main Protease in mature form)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114504
Number of water molecules: 34978
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 7KS5 (SARS-CoV-2 Main protease immature form - F2X Entry Library E03 fragment)
-
Dimension: 108 X 108 X 108sysinfo
Number of total atoms: 118330
Number of water molecules: 36281
Number of K+/CL- ions: 111 / 103PDB File Tarball • PDB ID: 7KVL (SARS-CoV-2 Main protease immature form - FMAX Library E01 fragment)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114448
Number of water molecules: 34991
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 7KVR (SARS-CoV-2 Main protease immature form - FMAX Library E09 fragment)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108493
Number of water molecules: 33028
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 7KW5 (SARS-CoV-2 Main protease immature form - F2X Entry Library E06 fragment)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114478
Number of water molecules: 34990
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 7AKU (Main Protease bound to Calpeptin)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102326
Number of water molecules: 30898
Number of K+/CL- ions: 97 / 87PDB File Tarball • PDB ID: 7KFI (Main protease immature form - apo structure)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114414
Number of water molecules: 34986
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 7KFJ (Main protease immature form - fragment BBV-136614527)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114358
Number of water molecules: 34957
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 7KHP (Acyl-enzyme intermediate structure of Mpro in complex with its C-terminal autoprocessing sequence)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 111888
Number of water molecules: 34108
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 7CWB (Ambient-Temperature Serial Femtosecond X-ray Crystal structure of Main Protease at 1.9 A Resolution (C121))
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108675
Number of water molecules: 33039
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 7CWC (Ambient-Temperature Serial Femtosecond X-ray Crystal structure of Main Protease at 2.1 A Resolution (P212121))
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114216
Number of water molecules: 34941
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 7CX9 (main protease + INZ-1)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108663
Number of water molecules: 33071
Number of K+/CL- ions: 103 / 93PDB File Tarball • PDB ID: 7D3I (main protease + MI-23)
-
Dimension: 104 X 104 X 104sysinfo
Number of total atoms: 105396
Number of water molecules: 31918
Number of K+/CL- ions: 98 / 90PDB File Tarball • PDB ID: 7JKV (main protease + inhibitor GRL-2420)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108647
Number of water molecules: 33026
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 7JVZ (MAIN PROTEASE 3CLpro, ROOM TEMPERATURE, DAMAGE FREE XFEL MONOCLINIC STRUCTURE)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 111597
Number of water molecules: 34011
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 7K6D (Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected))
-
Dimension: 104 X 104 X 104sysinfo
Number of total atoms: 105462
Number of water molecules: 31912
Number of K+/CL- ions: 98 / 90PDB File Tarball • PDB ID: 7K6E (Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification))
-
Dimension: 104 X 104 X 104sysinfo
Number of total atoms: 105495
Number of water molecules: 31923
Number of K+/CL- ions: 98 / 90PDB File Tarball • PDB ID: 6W79 (main protease + inhibitor X77)
-
Dimension: 110 X 110 X 110sysinfo
Number of total atoms: 124475
Number of water molecules: 36660
Number of K+/CL- ions: 112 / 103PDB File Tarball • PDB ID: 7C2Q (main protease in the apo state)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 111953
Number of water molecules: 34217
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 7C2Y (main protease in the apo state)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112023
Number of water molecules: 34254
Number of K+/CL- ions: 106 / 97PDB File Tarball • PDB ID: 7JU7 (Main Protease + masitinib)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 111934
Number of water molecules: 34104
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 6XR3 (main protease bound to GRL-024-20 at 1.45 A)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114535
Number of water molecules: 34949
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 7COM (main protease in complex with Boceprevir (space group P212121))
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114477
Number of water molecules: 34913
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 7C7P (main protease + Telaprevir)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114451
Number of water molecules: 34931
Number of K+/CL- ions: 109 / 99PDB File Tarball • PDB ID: 6XHM (Main protease + Ligand V2M)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108519
Number of water molecules: 32990
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 6WTK (main protease + feline coronavirus drug)
-
Dimension: 96 X 96 X 96sysinfo
Number of total atoms: 83563
Number of water molecules: 26223
Number of K+/CL- ions: 78 / 74PDB File Tarball • PDB ID: 6WTM (main protease + feline coronavirus drug)
-
Dimension: 104 X 104 X 104sysinfo
Number of total atoms: 105468
Number of water molecules: 31972
Number of K+/CL- ions: 98 / 90PDB File Tarball • PDB ID: 6YVF (Main Protease + AZD6482)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112041
Number of water molecules: 34123
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 7BRR (Main Protease + GC376 (anitviral))
-
Dimension: 104 X 104 X 104sysinfo
Number of total atoms: 105407
Number of water molecules: 32003
Number of K+/CL- ions: 98 / 90PDB File Tarball • PDB ID: 6WNP (Main Protease + Boceprevir)
-
Dimension: 108 X 108 X 108sysinfo
Number of total atoms: 118452
Number of water molecules: 36236
Number of K+/CL- ions: 110 / 102PDB File Tarball • PDB ID: 6YNQ (Main Protease Dimer + 2-Methyl-1-tetralone)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102592
Number of water molecules: 30996
Number of K+/CL- ions: 95 / 87PDB File Tarball • PDB ID: 6M03 (Main Protease Dimer)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108594
Number of water molecules: 33012
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 6Y2E (Main Protease Dimer)
-
Dimension: 104 X 104 X 104sysinfo
Number of total atoms: 105411
Number of water molecules: 31953
Number of K+/CL- ions: 98 / 90PDB File Tarball • PDB ID: 6Y2F (Main Protease Dimer + Ligand O6K)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108660
Number of water molecules: 32978
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 6Y2G (Main Protease Dimer + Ligand O6K)
-
Dimension: 109 X 109 X 109sysinfo
Number of total atoms: 121143
Number of water molecules: 37131
Number of K+/CL- ions: 113 / 105PDB File Tarball • PDB ID: 6Y84 (Main Protease Dimer)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114626
Number of water molecules: 35018
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 6W63 (Main Protease Dimer + Ligand X77)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102490
Number of water molecules: 30948
Number of K+/CL- ions: 95 / 87PDB File Tarball • PDB ID: 5S6X (NendoU + Z2889976755)
-
Dimension: 208 X 208 X 208sysinfo
Number of total atoms: 849247
Number of water molecules: 260483
Number of K+/CL- ions: 881 / 737PDB File Tarball • PDB ID: 5S6Y (NendoU + Z56900771)
-
Dimension: 207 X 207 X 207sysinfo
Number of total atoms: 835993
Number of water molecules: 256081
Number of K+/CL- ions: 869 / 725PDB File Tarball • PDB ID: 5S6Z (NendoU + PB2255187532)
-
Dimension: 208 X 208 X 208sysinfo
Number of total atoms: 849463
Number of water molecules: 260551
Number of K+/CL- ions: 881 / 737PDB File Tarball • PDB ID: 5S70 (NendoU + EN300-181428)
-
Dimension: 207 X 207 X 207sysinfo
Number of total atoms: 836146
Number of water molecules: 256156
Number of K+/CL- ions: 869 / 725PDB File Tarball • PDB ID: 5S71 (NendoU + FUZS-5)
-
Dimension: 207 X 207 X 207sysinfo
Number of total atoms: 836299
Number of water molecules: 256131
Number of K+/CL- ions: 869 / 725PDB File Tarball • PDB ID: 5S72 (NendoU + BBL029427)
-
Dimension: 207 X 207 X 207sysinfo
Number of total atoms: 836167
Number of water molecules: 256159
Number of K+/CL- ions: 869 / 725PDB File Tarball • PDB ID: 5RL6 (helicase + Ligand Z198195770)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237695
Number of water molecules: 72924
Number of K+/CL- ions: 205 / 237PDB File Tarball • PDB ID: 5RL7 (helicase + Ligand Z364321922)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242308
Number of water molecules: 74452
Number of K+/CL- ions: 210 / 242PDB File Tarball • PDB ID: 5RL8 (helicase + Ligand Z53825177))
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 238009
Number of water molecules: 73021
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RL9 (helicase + Ligand Z1703168683)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237896
Number of water molecules: 72991
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RLB (helicase + Ligand Z216450634)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237782
Number of water molecules: 72950
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RLC (helicase + Ligand Z56923284)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242355
Number of water molecules: 74472
Number of K+/CL- ions: 211 / 243PDB File Tarball • PDB ID: 5RLD (helicase + Ligand Z19735981)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237694
Number of water molecules: 72922
Number of K+/CL- ions: 205 / 237PDB File Tarball • PDB ID: 5RLE (helicase + Ligand Z1429867185)
-
Dimension: 135 X 135 X 135sysinfo
Number of total atoms: 231971
Number of water molecules: 71021
Number of K+/CL- ions: 200 / 232PDB File Tarball • PDB ID: 5RLF (helicase + Ligand Z235341991)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237779
Number of water molecules: 72951
Number of K+/CL- ions: 205 / 237PDB File Tarball • PDB ID: 5RLG (helicase + Ligand Z19739650)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242512
Number of water molecules: 74526
Number of K+/CL- ions: 211 / 243PDB File Tarball • PDB ID: 5RLH (helicase + Ligand Z2856434778)
-
Dimension: 135 X 135 X 135sysinfo
Number of total atoms: 232140
Number of water molecules: 71077
Number of K+/CL- ions: 201 / 233PDB File Tarball • PDB ID: 5RLI (helicase + Ligand Z45617795)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237922
Number of water molecules: 72982
Number of K+/CL- ions: 205 / 237PDB File Tarball • PDB ID: 5RLJ (helicase + Ligand Z1407673036)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242379
Number of water molecules: 74481
Number of K+/CL- ions: 211 / 243PDB File Tarball • PDB ID: 5RLK (helicase + Ligand Z1509882419)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237792
Number of water molecules: 72957
Number of K+/CL- ions: 205 / 237PDB File Tarball • PDB ID: 5RLL (helicase + Ligand Z425387594)
-
Dimension: 135 X 135 X 135sysinfo
Number of total atoms: 231969
Number of water molecules: 71016
Number of K+/CL- ions: 200 / 232PDB File Tarball • PDB ID: 5RLM (helicase + Ligand Z1650168321)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237688
Number of water molecules: 72919
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RLN (helicase + Ligand Z364328788)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237794
Number of water molecules: 72958
Number of K+/CL- ions: 205 / 237PDB File Tarball • PDB ID: 5RLO (helicase + Ligand Z1454310449)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242410
Number of water molecules: 74492
Number of K+/CL- ions: 211 / 243PDB File Tarball • PDB ID: 5RLP (helicase + Ligand Z166605480)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237845
Number of water molecules: 72974
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RLQ (helicase + Ligand Z285782452)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242362
Number of water molecules: 74477
Number of K+/CL- ions: 210 / 242PDB File Tarball • PDB ID: 5RLR (helicase + Ligand Z822382694)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242402
Number of water molecules: 74489
Number of K+/CL- ions: 211 / 243PDB File Tarball • PDB ID: 5RLS (helicase + Ligand Z59181945)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237811
Number of water molecules: 72963
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RLT (helicase + Ligand Z53116498)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242367
Number of water molecules: 74477
Number of K+/CL- ions: 210 / 242PDB File Tarball • PDB ID: 5RLU (helicase + Ligand Z744754722)
-
Dimension: 134 X 134 X 134sysinfo
Number of total atoms: 226875
Number of water molecules: 69321
Number of K+/CL- ions: 196 / 228PDB File Tarball • PDB ID: 5RLV (helicase + Ligand Z2467208649)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242465
Number of water molecules: 74493
Number of K+/CL- ions: 210 / 242PDB File Tarball • PDB ID: 5RLW (helicase + Ligand Z45705015)
-
Dimension: 135 X 135 X 135sysinfo
Number of total atoms: 231984
Number of water molecules: 71014
Number of K+/CL- ions: 201 / 233PDB File Tarball • PDB ID: 5RLY (helicase + Ligand Z2027049478)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237852
Number of water molecules: 72970
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RLZ (helicase + Ligand Z2293643386)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242467
Number of water molecules: 74511
Number of K+/CL- ions: 210 / 242PDB File Tarball • PDB ID: 5RM0 (helicase + Ligand Z1492796719)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237775
Number of water molecules: 72949
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RM1 (helicase + Ligand Z426041412)
-
Dimension: 135 X 135 X 135sysinfo
Number of total atoms: 232020
Number of water molecules: 71035
Number of K+/CL- ions: 201 / 233PDB File Tarball • PDB ID: 5RM2 (helicase + Ligand Z1741964527)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242412
Number of water molecules: 74478
Number of K+/CL- ions: 210 / 242PDB File Tarball • PDB ID: 5RM3 (helicase + Ligand Z1745658474)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242385
Number of water molecules: 74486
Number of K+/CL- ions: 211 / 243PDB File Tarball • PDB ID: 5RM5 (helicase +Ligand Z373768900)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237902
Number of water molecules: 72991
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RM6 (helicase + Ligand Z396380540)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237854
Number of water molecules: 72974
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RM7 (helicase + Ligand Z69118333)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242413
Number of water molecules: 74490
Number of K+/CL- ions: 211 / 243PDB File Tarball • PDB ID: 5RM8 (helicase + Ligand Z1614545742)
-
Dimension: 135 X 135 X 135sysinfo
Number of total atoms: 231935
Number of water molecules: 71005
Number of K+/CL- ions: 201 / 233PDB File Tarball • PDB ID: 5RM9 (helicase + Ligand Z2856434942)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237802
Number of water molecules: 72957
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RMA (helicase + Ligand Z321318226)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237797
Number of water molecules: 72956
Number of K+/CL- ions: 205 / 237PDB File Tarball • PDB ID: 5RMB (helicase + Ligand Z2856434920)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237729
Number of water molecules: 72934
Number of K+/CL- ions: 205 / 237PDB File Tarball • PDB ID: 5RMC (helicase + Ligand Z24758179)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242484
Number of water molecules: 74516
Number of K+/CL- ions: 211 / 243PDB File Tarball • PDB ID: 5RMD (helicase + Ligand Z57614330)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242546
Number of water molecules: 74526
Number of K+/CL- ions: 210 / 242PDB File Tarball • PDB ID: 5RME (helicase + Ligand Z26333434)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242562
Number of water molecules: 74541
Number of K+/CL- ions: 211 / 243PDB File Tarball • PDB ID: 5RMF (helicase + Ligand Z54226006)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237915
Number of water molecules: 72997
Number of K+/CL- ions: 205 / 237PDB File Tarball • PDB ID: 5RMG (helicase + Ligand Z285675722)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 238009
Number of water molecules: 73027
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RMH (helicase + Ligand Z1101755952)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237817
Number of water molecules: 72962
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RMI (helicase + Ligand Z53860899)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237830
Number of water molecules: 72967
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RMJ (helicase + Ligand Z68299550)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237834
Number of water molecules: 72968
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 5RMK (helicase + Ligand Z1273312153)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242490
Number of water molecules: 74519
Number of K+/CL- ions: 211 / 243PDB File Tarball • PDB ID: 5RML (helicase + Ligand Z85956652)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242378
Number of water molecules: 74481
Number of K+/CL- ions: 211 / 243PDB File Tarball • PDB ID: 5RMM (helicase + Ligand POB0066)
-
Dimension: 135 X 135 X 135sysinfo
Number of total atoms: 232061
Number of water molecules: 71047
Number of K+/CL- ions: 200 / 232PDB File Tarball • PDB ID: 5RHB (main protease + Ligand Cov_HetLib030 (Mpro-x2097))
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114592
Number of water molecules: 34998
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RHC (main protease + Ligand Cov_HetLib053 (Mpro-x2119))
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114608
Number of water molecules: 35004
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RHD (main protease + Ligand SF013 (Mpro-x2193))
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114627
Number of water molecules: 34997
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RHE (main protease + Ligand PG-COV-42 (Mpro-x2052))
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114672
Number of water molecules: 35008
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RHF (main protease + Ligand PG-COV-34 (Mpro-x2754))
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114680
Number of water molecules: 35010
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RG1 (main protease + NCL-00024905)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114624
Number of water molecules: 35018
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RGT (Main Protease Dimer + Ligand Z4439011607)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114707
Number of water molecules: 35007
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RGU (Main Protease Dimer + Ligand Z4444622180)
-
Dimension: 108 X 108 X 108sysinfo
Number of total atoms: 118637
Number of water molecules: 36329
Number of K+/CL- ions: 111 / 103PDB File Tarball • PDB ID: 5RGV (Main Protease Dimer + Ligand Z4444622066)
-
Dimension: 109 X 109 X 109sysinfo
Number of total atoms: 121468
Number of water molecules: 37272
Number of K+/CL- ions: 114 / 106PDB File Tarball • PDB ID: 5RGW (Main Protease Dimer + Ligand Z4444621910)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114793
Number of water molecules: 35055
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RGX (Main Protease Dimer + Ligand Z1344037997)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114558
Number of water molecules: 34974
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RGY (Main Protease Dimer + Ligand Z1535580916)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114687
Number of water molecules: 35013
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RGZ (Main Protease Dimer + Ligand Z1343543528)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114553
Number of water molecules: 34975
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RH0 (Main Protease Dimer + Ligand Z1286870272)
-
Dimension: 108 X 108 X 108sysinfo
Number of total atoms: 118532
Number of water molecules: 36300
Number of K+/CL- ions: 111 / 103PDB File Tarball • PDB ID: 5RH1 (Main Protease Dimer + Ligand Z2010253653)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114666
Number of water molecules: 35014
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RH2 (Main Protease Dimer + Ligand Z1129289650)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108820
Number of water molecules: 33066
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 5RH3 (Main Protease Dimer + Ligand Z1264525706)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108742
Number of water molecules: 33038
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 5RH4 (Main Protease Dimer + Ligand Z1530425063)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114714
Number of water molecules: 35026
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RH5 (Main Protease Dimer + Ligand Z4439011520)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114695
Number of water molecules: 34999
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RH6 (Main Protease Dimer + Ligand Z4439011588)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114727
Number of water molecules: 35009
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RH7 (Main Protease Dimer + Ligand Z4439011584)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114722
Number of water molecules: 35006
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RH8 (Main Protease Dimer + Ligand Z4444621965)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114648
Number of water molecules: 35006
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RH9 (Main Protease Dimer + Ligand Z4438424255)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114735
Number of water molecules: 35011
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RHA (Main Protease Dimer + Ligand Z147647874)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114730
Number of water molecules: 35032
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RGP (Main Protease Dimer + Ligand PCM-0102628)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114613
Number of water molecules: 34987
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5R7Y (Main Protease Dimer + Ligand Z45617795)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114594
Number of water molecules: 34990
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5R7Z (Main Protease Dimer + Ligand Z1220452176)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114624
Number of water molecules: 34998
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5R80 (Main Protease Dimer + Ligand Z18197050)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114663
Number of water molecules: 35015
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5R81 (Main Protease Dimer + Ligand Z1367324110)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114706
Number of water molecules: 35026
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5R82 (Main Protease Dimer + Ligand Z219104216)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114732
Number of water molecules: 35040
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5R83 (Main Protease Dimer + Ligand Z44592329)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102713
Number of water molecules: 31037
Number of K+/CL- ions: 96 / 88PDB File Tarball • PDB ID: 5R84 (Main Protease Dimer + Ligand Z31792168)
-
Dimension: 108 X 108 X 108sysinfo
Number of total atoms: 118600
Number of water molecules: 36318
Number of K+/CL- ions: 111 / 103PDB File Tarball • PDB ID: 5RE4 (Main Protease Dimer + Ligand Z1129283193)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112396
Number of water molecules: 34254
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5RE5 (Main Protease Dimer + Ligand Z33545544)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112337
Number of water molecules: 34243
Number of K+/CL- ions: 105 / 97PDB File Tarball • PDB ID: 5RE6 (Main Protease Dimer + Ligand Z54571979)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112313
Number of water molecules: 34231
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5RE7 (Main Protease Dimer + Ligand Z30932204)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102614
Number of water molecules: 31004
Number of K+/CL- ions: 96 / 88PDB File Tarball • PDB ID: 5RE8 (Main Protease Dimer + Ligand Z2737076969)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112263
Number of water molecules: 34215
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5RE9 (Main Protease Dimer + Ligand Z2856434836)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102756
Number of water molecules: 31044
Number of K+/CL- ions: 94 / 88PDB File Tarball • PDB ID: 5REA (Main Protease Dimer + Ligand Z31432226)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102717
Number of water molecules: 31033
Number of K+/CL- ions: 96 / 88PDB File Tarball • PDB ID: 5REB (Main Protease Dimer + Ligand Z2856434899)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112274
Number of water molecules: 34218
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5REC (Main Protease Dimer + Ligand Z1587220559)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114671
Number of water molecules: 35013
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RED (Main Protease Dimer + Ligand Z2856434865)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102579
Number of water molecules: 30989
Number of K+/CL- ions: 96 / 88PDB File Tarball • PDB ID: 5REE (Main Protease Dimer + Ligand Z2217052426)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112244
Number of water molecules: 34204
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5REF (Main Protease Dimer + Ligand Z24758179)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112177
Number of water molecules: 34187
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5REG (Main Protease Dimer + Ligand Z1545313172)
-
Dimension: 102 X 102 X 102sysinfo
Number of total atoms: 100249
Number of water molecules: 30215
Number of K+/CL- ions: 93 / 85PDB File Tarball • PDB ID: 5REH (Main Protease Dimer + Ligand Z111507846)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114618
Number of water molecules: 34990
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5REI (Main Protease Dimer + Ligand Z2856434856)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114571
Number of water molecules: 34981
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5REJ (Main Protease Dimer + Ligand PCM-0102241)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114736
Number of water molecules: 35034
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5REK (Main Protease Dimer + Ligand PCM-0102327)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114580
Number of water molecules: 34980
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5REL (Main Protease Dimer + Ligand PCM-0102340)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114718
Number of water molecules: 35024
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5REM (Main Protease Dimer + Ligand PCM-0103016)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112295
Number of water molecules: 34221
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5REN (Main Protease Dimer + Ligand PCM-0102425)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114695
Number of water molecules: 35019
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5REO (Main Protease Dimer + Ligand PCM-0102578)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112325
Number of water molecules: 34237
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5REP (Main Protease Dimer + Ligand PCM-0102201)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114742
Number of water molecules: 35034
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RER (Main Protease Dimer + Ligand PCM-0102615)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112266
Number of water molecules: 34214
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5RES (Main Protease Dimer + Ligand PCM-0102281)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114712
Number of water molecules: 35024
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RET (Main Protease Dimer + Ligand PCM-0102269)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114843
Number of water molecules: 35067
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5REU (Main Protease Dimer + Ligand PCM-0102395)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114624
Number of water molecules: 34994
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5REV (Main Protease Dimer + Ligand PCM-0103072)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112280
Number of water molecules: 34216
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5REW (Main Protease Dimer + Ligand PCM-0102275)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114638
Number of water molecules: 35026
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5REX (Main Protease Dimer + Ligand PCM-0102287)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114697
Number of water molecules: 35015
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5REY (Main Protease Dimer + Ligand PCM-0102911)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112178
Number of water molecules: 34178
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5REZ (Main Protease Dimer + Ligand POB0129)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112207
Number of water molecules: 34197
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5RF0 (Main Protease Dimer + Ligand POB0073)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114652
Number of water molecules: 35008
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RF1 (Main Protease Dimer + Ligand NCL-00023830)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114710
Number of water molecules: 35034
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RF2 (Main Protease Dimer + Ligand Z1741969146)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114598
Number of water molecules: 35000
Number of K+/CL- ions: 106 / 100PDB File Tarball • PDB ID: 5RF3 (Main Protease Dimer + Ligand Z1741970824)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114782
Number of water molecules: 35062
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RF4 (Main Protease Dimer + Ligand Z1741982125)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114635
Number of water molecules: 35013
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RF5 (Main Protease Dimer + Ligand Z3241250482)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114730
Number of water molecules: 35044
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RF6 (Main Protease Dimer + Ligand Z1348371854)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114670
Number of water molecules: 35014
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RF7 (Main Protease Dimer + Ligand Z316425948_minor)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114748
Number of water molecules: 35034
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RF8 (Main Protease Dimer + Ligand Z271004858)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114587
Number of water molecules: 34987
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RFA (Main Protease Dimer + Ligand Z2643472210)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114720
Number of water molecules: 35030
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RFB (Main Protease Dimer + Ligand Z1271660837)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114676
Number of water molecules: 35020
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFC (Main Protease Dimer + Ligand Z979145504)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114720
Number of water molecules: 35030
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFD (Main Protease Dimer + Ligand Z126932614)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114647
Number of water molecules: 35009
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFE (Main Protease Dimer + Ligand Z509756472)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114704
Number of water molecules: 35022
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFF (Main Protease Dimer + Ligand PCM-0102704)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114694
Number of water molecules: 35018
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RFG (Main Protease Dimer + Ligand PCM-0102372)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112116
Number of water molecules: 34164
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5RFH (Main Protease Dimer + Ligand PCM-0102277)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114666
Number of water molecules: 35010
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFI (Main Protease Dimer + Ligand PCM-0102353)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112184
Number of water molecules: 34180
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5RFJ (Main Protease Dimer + Ligand PCM-0103067)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114625
Number of water molecules: 35001
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFK (Main Protease Dimer + Ligand PCM-0102575)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114588
Number of water molecules: 34982
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RFL (Main Protease Dimer + Ligand PCM-0102389)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114613
Number of water molecules: 34989
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFM (Main Protease Dimer + Ligand PCM-0102539)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114645
Number of water molecules: 35003
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RFN (Main Protease Dimer + Ligand PCM-0102868)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114737
Number of water molecules: 35035
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFO (Main Protease Dimer + Ligand PCM-0102972)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114608
Number of water molecules: 34986
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFP (Main Protease Dimer + Ligand PCM-0102190)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112204
Number of water molecules: 34196
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5RFQ (Main Protease Dimer + Ligand PCM-0102179)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114617
Number of water molecules: 34995
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFR (Main Protease Dimer + Ligand PCM-0102169)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114700
Number of water molecules: 35022
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RFS (Main Protease Dimer + Ligand PCM-0102739)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114634
Number of water molecules: 35000
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFT (Main Protease Dimer + Ligand PCM-0102432)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114731
Number of water molecules: 35029
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFU (Main Protease Dimer + Ligand PCM-0102121)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114711
Number of water molecules: 35025
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFV (Main Protease Dimer + Ligand PCM-0102306)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114641
Number of water molecules: 35003
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFW (Main Protease Dimer + Ligand PCM-0102243)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114640
Number of water molecules: 35002
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFX (Main Protease Dimer + Ligand PCM-0102254)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114625
Number of water molecules: 34995
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RFY (Main Protease Dimer + Ligand PCM-0102974)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114540
Number of water molecules: 34964
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RFZ (Main Protease Dimer + Ligand PCM-0102274)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114682
Number of water molecules: 35024
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RG0 (Main Protease Dimer + Ligand PCM-0102535)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112335
Number of water molecules: 34239
Number of K+/CL- ions: 105 / 97PDB File Tarball • PDB ID: 6Y84 (Main Protease Dimer)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114617
Number of water molecules: 35015
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RG2 (Main Protease Dimer + Ligand NCL-00025058)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114722
Number of water molecules: 35030
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RG3 (Main Protease Dimer + Ligand NCL-00025412)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114680
Number of water molecules: 35016
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RGG (Main Protease Dimer + Ligand Z2856434890)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114618
Number of water molecules: 34994
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RGH (Main Protease Dimer + Ligand Z1619978933)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114723
Number of water molecules: 35033
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RGI (Main Protease Dimer + Ligand Z369936976)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114767
Number of water molecules: 35045
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RGJ (Main Protease Dimer + Ligand Z1401276297)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114704
Number of water molecules: 35024
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RGK (Main Protease Dimer + Ligand Z1310876699)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114545
Number of water molecules: 34971
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RGL (Main Protease Dimer + Ligand PCM-0102962)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114627
Number of water molecules: 34995
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RGM (Main Protease Dimer + Ligand PCM-0102142)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 112248
Number of water molecules: 34208
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 5RGN (Main Protease Dimer + Ligand PCM-0102759)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114746
Number of water molecules: 35034
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 5RGO (Main Protease Dimer + Ligand PCM-0102248)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114740
Number of water molecules: 35036
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RGQ (Main Protease Dimer + Ligand Z1849009686)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114669
Number of water molecules: 35017
Number of K+/CL- ions: 108 / 100PDB File Tarball • PDB ID: 5RGR (Main Protease Dimer + Ligand Z328695024)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114636
Number of water molecules: 34982
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 7KOJ (The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder494)
-
Dimension: 108 X 108 X 108sysinfo
Number of total atoms: 118508
Number of water molecules: 37770
Number of K+/CL- ions: 107 / 114PDB File Tarball • PDB ID: 7KOK (The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder496)
-
Dimension: 108 X 108 X 108sysinfo
Number of total atoms: 118649
Number of water molecules: 37820
Number of K+/CL- ions: 107 / 114PDB File Tarball • PDB ID: 7KOL (The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102529
Number of water molecules: 32489
Number of K+/CL- ions: 92 / 96PDB File Tarball • PDB ID: 7KRX (Papain-Like Protease of SARS CoV-2, C111S mutant, + PLP_Snyder441)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102542
Number of water molecules: 32480
Number of K+/CL- ions: 92 / 99PDB File Tarball • PDB ID: 7D6H (papain-like protease (PLPro) C112S mutant)
-
Dimension: 119 X 119 X 119sysinfo
Number of total atoms: 158530
Number of water molecules: 51085
Number of K+/CL- ions: 146 / 151PDB File Tarball • PDB ID: 7D7T (papain-like protease (PLPro) C112S mutant bound to compound S43)
-
Dimension: 111 X 111 X 111sysinfo
Number of total atoms: 128032
Number of water molecules: 39256
Number of K+/CL- ions: 111 / 119PDB File Tarball • PDB ID: 7D47 (Papain-like protease C111S)
-
Dimension: 114 X 114 X 114sysinfo
Number of total atoms: 139836
Number of water molecules: 43247
Number of K+/CL- ions: 122 / 135PDB File Tarball • PDB ID: 7JRN (SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617)
-
Dimension: 150 X 150 X 150sysinfo
Number of total atoms: 318158
Number of water molecules: 102524
Number of K+/CL- ions: 292 / 300PDB File Tarball • PDB ID: 7JN2 (Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder441)
-
Dimension: 104 X 104 X 104sysinfo
Number of total atoms: 105354
Number of water molecules: 33402
Number of K+/CL- ions: 95 / 103PDB File Tarball • PDB ID: 7JIR (Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder457)
-
Dimension: 108 X 108 X 108sysinfo
Number of total atoms: 118506
Number of water molecules: 37773
Number of K+/CL- ions: 107 / 113PDB File Tarball • PDB ID: 7JIT (Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder495)
-
Dimension: 108 X 108 X 108sysinfo
Number of total atoms: 118486
Number of water molecules: 37756
Number of K+/CL- ions: 107 / 115PDB File Tarball • PDB ID: 7JIV (Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102651
Number of water molecules: 32502
Number of K+/CL- ions: 92 / 99PDB File Tarball • PDB ID: 7JIW (Papain-Like Protease + PLP_Snyder530)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114463
Number of water molecules: 36450
Number of K+/CL- ions: 104 / 109PDB File Tarball • PDB ID: 6XG3 (Papain-Like Protease of SARS CoV-2 + C111S mutant @ rtp)
-
Dimension: 93 X 93 X 93sysinfo
Number of total atoms: 75388
Number of water molecules: 21808
Number of K+/CL- ions: 61 / 67PDB File Tarball • PDB ID: 6XA9 (PLpro + ISG15 C-terminal domain propargylamide)
-
Dimension: 111 X 111 X 111sysinfo
Number of total atoms: 128502
Number of water molecules: 40692
Number of K+/CL- ions: 116 / 119PDB File Tarball • PDB ID: 6XAA (PLpro + ubiquitin propargylamide)
-
Dimension: 108 X 108 X 108sysinfo
Number of total atoms: 118462
Number of water molecules: 37393
Number of K+/CL- ions: 106 / 109PDB File Tarball • PDB ID: 6WZU (Papain-Like Protease , P3221 space group)
-
Dimension: 113 X 113 X 113sysinfo
Number of total atoms: 136066
Number of water molecules: 43620
Number of K+/CL- ions: 124 / 126PDB File Tarball • PDB ID: 6YVA (PLpro-C111S + mISG15)
-
Dimension: 94 X 94 X 94sysinfo
Number of total atoms: 77516
Number of water molecules: 23376
Number of K+/CL- ions: 66 / 69PDB File Tarball • PDB ID: 6WRH (Papain-like protease (C111S mutant))
-
Dimension: 115 X 115 X 115sysinfo
Number of total atoms: 143674
Number of water molecules: 46148
Number of K+/CL- ions: 131 / 133PDB File Tarball • PDB ID: 5RS7 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676)
-
Dimension: 89 X 89 X 89sysinfo
Number of total atoms: 66082
Number of water molecules: 20286
Number of K+/CL- ions: 57 / 57PDB File Tarball • PDB ID: 5RS8 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000001601)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59530
Number of water molecules: 18106
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RS9 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000007636250)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59485
Number of water molecules: 18091
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSB (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001674697)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59512
Number of water molecules: 18100
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSC (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003888754)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59515
Number of water molecules: 18101
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSD (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331945)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59500
Number of water molecules: 18096
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSE (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000336438345)
-
Dimension: 87 X 87 X 87sysinfo
Number of total atoms: 61874
Number of water molecules: 18886
Number of K+/CL- ions: 53 / 53PDB File Tarball • PDB ID: 5RSF (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000026180281)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59500
Number of water molecules: 18096
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSG (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263392672)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59461
Number of water molecules: 18083
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSH (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000274438208)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59491
Number of water molecules: 18093
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSI (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000374420934)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59521
Number of water molecules: 18103
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSJ (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000089254160_N3)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59548
Number of water molecules: 18112
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSK (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000901381520_N3)
-
Dimension: 88 X 88 X 88sysinfo
Number of total atoms: 63774
Number of water molecules: 19518
Number of K+/CL- ions: 55 / 55PDB File Tarball • PDB ID: 5RSL (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000365052868)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59476
Number of water molecules: 18088
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSM (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000001099)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59563
Number of water molecules: 18117
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSN (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000064576)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59521
Number of water molecules: 18103
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSO (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000226)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59476
Number of water molecules: 18088
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSP (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002560357)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59518
Number of water molecules: 18102
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSQ (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158490)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59554
Number of water molecules: 18114
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSR (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158650)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59527
Number of water molecules: 18105
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSS (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006691828)
-
Dimension: 85 X 85 X 85sysinfo
Number of total atoms: 57390
Number of water molecules: 17394
Number of K+/CL- ions: 49 / 49PDB File Tarball • PDB ID: 5RST (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332673)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59506
Number of water molecules: 18098
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSU (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002055)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59503
Number of water molecules: 18097
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSV (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000340465)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59533
Number of water molecules: 18107
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSW (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000337835)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59521
Number of water molecules: 18103
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSX (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388262)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59572
Number of water molecules: 18120
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSY (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004787230)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59542
Number of water molecules: 18110
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RSZ (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004218283)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59521
Number of water molecules: 18103
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RT0 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59494
Number of water molecules: 18094
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RT1 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039810)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59479
Number of water molecules: 18089
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RT2 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008652361)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59557
Number of water molecules: 18115
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RT3 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000039281982)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59518
Number of water molecules: 18102
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RT4 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000051581)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59485
Number of water molecules: 18091
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RT5 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000058111)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59551
Number of water molecules: 18113
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RT6 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156509)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59566
Number of water molecules: 18118
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RT7 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000015442276)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59524
Number of water molecules: 18104
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RT8 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161908)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59545
Number of water molecules: 18111
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RT9 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388280)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59518
Number of water molecules: 18102
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTA (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332540)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59506
Number of water molecules: 18098
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTB (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006534965)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59494
Number of water molecules: 18094
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTC (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006490906)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59611
Number of water molecules: 18133
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTD (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157108)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59482
Number of water molecules: 18090
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTE (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013283576)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59548
Number of water molecules: 18112
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTF (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002047514)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59524
Number of water molecules: 18104
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTG (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000395673)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59548
Number of water molecules: 18112
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTH (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156863)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59512
Number of water molecules: 18100
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTI (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004219237)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59602
Number of water molecules: 18130
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTJ (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332752)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59470
Number of water molecules: 18086
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTK (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164504)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59527
Number of water molecules: 18105
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTL (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388056)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59503
Number of water molecules: 18097
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTM (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002005)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59572
Number of water molecules: 18120
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTN (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509)
-
Dimension: 85 X 85 X 85sysinfo
Number of total atoms: 57453
Number of water molecules: 17415
Number of K+/CL- ions: 49 / 49PDB File Tarball • PDB ID: 5RTO (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388302)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59479
Number of water molecules: 18089
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTP (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001679336)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59449
Number of water molecules: 18079
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTQ (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015078)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59515
Number of water molecules: 18101
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTR (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000018169763)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59536
Number of water molecules: 18108
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTS (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59548
Number of water molecules: 18112
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTT (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000873830)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59518
Number of water molecules: 18102
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTU (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159056)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59488
Number of water molecules: 18092
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTV (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001698894)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59527
Number of water molecules: 18105
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTW (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164777)
-
Dimension: 88 X 88 X 88sysinfo
Number of total atoms: 63819
Number of water molecules: 19533
Number of K+/CL- ions: 55 / 55PDB File Tarball • PDB ID: 5RTX (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000090873)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59569
Number of water molecules: 18119
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTY (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59485
Number of water molecules: 18091
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RTZ (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404062)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59530
Number of water molecules: 18106
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RU0 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388514)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59518
Number of water molecules: 18102
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RU1 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000034687)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59548
Number of water molecules: 18112
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RU2 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331715)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59503
Number of water molecules: 18097
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RU3 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161696)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59548
Number of water molecules: 18112
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RU4 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001688638)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59476
Number of water molecules: 18088
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RU5 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000098208711)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59458
Number of water molecules: 18082
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RU6 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001442764)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59545
Number of water molecules: 18111
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RU7 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003591110)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59494
Number of water molecules: 18094
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RU8 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59503
Number of water molecules: 18097
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RU9 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000165882)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59455
Number of water molecules: 18081
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUA (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000033986325)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59533
Number of water molecules: 18107
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUC (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000005878)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59506
Number of water molecules: 18098
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUD (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008615114)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59518
Number of water molecules: 18102
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUE (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000922)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59524
Number of water molecules: 18104
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUF (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016989831)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59515
Number of water molecules: 18101
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUG (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000038389)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59479
Number of water molecules: 18089
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUH (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000123600)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59500
Number of water molecules: 18096
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUI (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332651)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59485
Number of water molecules: 18091
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUJ (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404314)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59404
Number of water molecules: 18064
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUK (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161692)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59431
Number of water molecules: 18073
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUL (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000163774)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59506
Number of water molecules: 18098
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUM (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008861082)
-
Dimension: 88 X 88 X 88sysinfo
Number of total atoms: 63765
Number of water molecules: 19515
Number of K+/CL- ions: 55 / 55PDB File Tarball • PDB ID: 5RUN (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59569
Number of water molecules: 18119
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUO (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001683100)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59524
Number of water molecules: 18104
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUP (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004976927)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59548
Number of water molecules: 18112
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUQ (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000032199226)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59524
Number of water molecules: 18104
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUR (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000017744334)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59482
Number of water molecules: 18090
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUS (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388081)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59506
Number of water molecules: 18098
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUT (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161958)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59506
Number of water molecules: 18098
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUU (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000438614)
-
Dimension: 87 X 87 X 87sysinfo
Number of total atoms: 61805
Number of water molecules: 18863
Number of K+/CL- ions: 53 / 53PDB File Tarball • PDB ID: 5RUV (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015194)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59473
Number of water molecules: 18087
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUW (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000045014941)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59518
Number of water molecules: 18102
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUX (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002020050)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59488
Number of water molecules: 18092
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUY (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013517187)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59566
Number of water molecules: 18118
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RUZ (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019685960)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59512
Number of water molecules: 18100
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RV0 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039994)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59515
Number of water molecules: 18101
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RV1 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000251609)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59533
Number of water molecules: 18107
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RV2 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000311783)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59488
Number of water molecules: 18092
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RV3 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000057162)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59443
Number of water molecules: 18077
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RV4 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039224)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59470
Number of water molecules: 18086
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RV5 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008578948)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59479
Number of water molecules: 18089
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RV6 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158540)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59491
Number of water molecules: 18093
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RV7 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003954002)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59533
Number of water molecules: 18107
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RV8 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039575)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59491
Number of water molecules: 18093
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RV9 (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388150)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59590
Number of water molecules: 18126
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RVA (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016343276)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59554
Number of water molecules: 18114
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RVB (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000014419577)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59500
Number of water molecules: 18096
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RVC (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000933940912)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59470
Number of water molecules: 18086
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RVD (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263980802)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59506
Number of water molecules: 18098
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RVE (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000736709772)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59506
Number of water molecules: 18098
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RVF (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000082473428_N3)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59524
Number of water molecules: 18104
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RVG (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59491
Number of water molecules: 18093
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RVH (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000265642)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59497
Number of water molecules: 18095
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RVI (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000084843283)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59494
Number of water molecules: 18094
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 5RVJ (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001612349)
-
Dimension: 71 X 71 X 71sysinfo
Number of total atoms: 33401
Number of water molecules: 10262
Number of K+/CL- ions: 30 / 29PDB File Tarball • PDB ID: 5RVK (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002977810)
-
Dimension: 71 X 71 X 71sysinfo
Number of total atoms: 33395
Number of water molecules: 10260
Number of K+/CL- ions: 30 / 29PDB File Tarball • PDB ID: 5RVL (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000149580)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31977
Number of water molecules: 9788
Number of K+/CL- ions: 29 / 28PDB File Tarball • PDB ID: 5RVM (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31907
Number of water molecules: 9746
Number of K+/CL- ions: 29 / 27PDB File Tarball • PDB ID: 5RVN (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332748)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 32022
Number of water molecules: 9803
Number of K+/CL- ions: 29 / 28PDB File Tarball • PDB ID: 5RVO (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31983
Number of water molecules: 9790
Number of K+/CL- ions: 29 / 28PDB File Tarball • PDB ID: 5RVP (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31998
Number of water molecules: 9795
Number of K+/CL- ions: 29 / 28PDB File Tarball • PDB ID: 5RVQ (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002508153)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31978
Number of water molecules: 9789
Number of K+/CL- ions: 28 / 27PDB File Tarball • PDB ID: 5RVR (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016052862)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31987
Number of water molecules: 9792
Number of K+/CL- ions: 28 / 27PDB File Tarball • PDB ID: 5RVS (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 32001
Number of water molecules: 9796
Number of K+/CL- ions: 29 / 28PDB File Tarball • PDB ID: 5RVT (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714)
-
Dimension: 71 X 71 X 71sysinfo
Number of total atoms: 33380
Number of water molecules: 10255
Number of K+/CL- ions: 30 / 29PDB File Tarball • PDB ID: 5RVU (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002506130)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31972
Number of water molecules: 9787
Number of K+/CL- ions: 28 / 27PDB File Tarball • PDB ID: 5RVV (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000020269197)
-
Dimension: 71 X 71 X 71sysinfo
Number of total atoms: 33389
Number of water molecules: 10258
Number of K+/CL- ions: 30 / 29PDB File Tarball • PDB ID: 7L6R (Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and Manganese (Mn))
-
Dimension: 93 X 93 X 93sysinfo
Number of total atoms: 75578
Number of water molecules: 22984
Number of K+/CL- ions: 64 / 65PDB File Tarball • PDB ID: 7L6T (Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and two Magnesium (Mg) ions)
-
Dimension: 94 X 94 X 94sysinfo
Number of total atoms: 77453
Number of water molecules: 23610
Number of K+/CL- ions: 67 / 73PDB File Tarball • PDB ID: 7JQB (SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex)
-
Dimension: 285 X 285 X 285sysinfo
Number of total atoms: 2171769
Number of water molecules: 677536
Number of K+/CL- ions: 3163 / 1928PDB File Tarball • PDB ID: 7JQC (SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex)
-
Dimension: 285 X 285 X 285sysinfo
Number of total atoms: 2167689
Number of water molecules: 674730
Number of K+/CL- ions: 3301 / 1920PDB File Tarball • PDB ID: 7K0R (Nucleotide bound SARS-CoV-2 Nsp15)
-
Dimension: 133 X 133 X 133sysinfo
Number of total atoms: 221153
Number of water molecules: 62611
Number of K+/CL- ions: 247 / 175PDB File Tarball • PDB ID: 7KEG (Crystal structure from SARS-COV2 NendoU NSP15)
-
Dimension: 207 X 207 X 207sysinfo
Number of total atoms: 835861
Number of water molecules: 256109
Number of K+/CL- ions: 869 / 725PDB File Tarball • PDB ID: 7KEH (Crystal structure from SARS-CoV-2 NendoU NSP15)
-
Dimension: 208 X 208 X 208sysinfo
Number of total atoms: 848834
Number of water molecules: 260426
Number of K+/CL- ions: 880 / 736PDB File Tarball • PDB ID: 7KF4 (Crystal structure from SARS-CoV-2 NendoU NSP15)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 236202
Number of water molecules: 67594
Number of K+/CL- ions: 261 / 189PDB File Tarball • PDB ID: 7KQO (Crystal structure of SARS-CoV-2 NSP3 macrodomain (P43 crystal form))
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59480
Number of water molecules: 18080
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 7KQP (Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form))
-
Dimension: 89 X 89 X 89sysinfo
Number of total atoms: 66112
Number of water molecules: 20267
Number of K+/CL- ions: 57 / 57PDB File Tarball • PDB ID: 7KR0 (Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K))
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31916
Number of water molecules: 9763
Number of K+/CL- ions: 29 / 27PDB File Tarball • PDB ID: 7KR1 (Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K))
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31945
Number of water molecules: 9778
Number of K+/CL- ions: 28 / 27PDB File Tarball • PDB ID: 6ZPE (Nonstructural protein 10 (nsp10))
-
Dimension: 64 X 64 X 64sysinfo
Number of total atoms: 24560
Number of water molecules: 7574
Number of K+/CL- ions: 21 / 23PDB File Tarball • PDB ID: 7ACS (nucleocapsid phosphoprotein N-terminal domain + 7mer dsRNA)
-
Dimension: 75 X 75 X 75sysinfo
Number of total atoms: 39157
Number of water molecules: 12176
Number of K+/CL- ions: 41 / 34PDB File Tarball • PDB ID: 7ACT (nucleocapsid phosphoprotein N-terminal domain + 10mer ssRNA)
-
Dimension: 67 X 67 X 67sysinfo
Number of total atoms: 27757
Number of water molecules: 8439
Number of K+/CL- ions: 28 / 24PDB File Tarball • PDB ID: 7K9P (Rtp structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX)
-
Dimension: 211 X 211 X 211sysinfo
Number of total atoms: 883040
Number of water molecules: 271798
Number of K+/CL- ions: 913 / 769PDB File Tarball • PDB ID: 7KAG (ubiquitin-like domain 1 (Ubl1) of Nsp3)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 113616
Number of water molecules: 35498
Number of K+/CL- ions: 157 / 101PDB File Tarball • PDB ID: 7KG3 (Crystal structure of Nsp3 Macrodomain)
-
Dimension: 66 X 66 X 66sysinfo
Number of total atoms: 26733
Number of water molecules: 8057
Number of K+/CL- ions: 23 / 23PDB File Tarball • PDB ID: 7K1O (NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-3',5'-Diphosphate)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 236363
Number of water molecules: 67605
Number of K+/CL- ions: 261 / 189PDB File Tarball • PDB ID: 7K3N (NSP1)
-
Dimension: 58 X 58 X 58sysinfo
Number of total atoms: 18134
Number of water molecules: 5443
Number of K+/CL- ions: 17 / 15PDB File Tarball • PDB ID: 7CDZ (nucleocapsid N-terminal domain (NTD) protein)
-
Dimension: 89 X 89 X 89sysinfo
Number of total atoms: 65484
Number of water molecules: 19184
Number of K+/CL- ions: 54 / 72PDB File Tarball • PDB ID: 7CE0 (nucleocapsid C-terminal domain (CTD) protein)
-
Dimension: 111 X 111 X 111sysinfo
Number of total atoms: 128209
Number of water molecules: 40321
Number of K+/CL- ions: 115 / 139PDB File Tarball • PDB ID: 7JHE (Nsp10/Nsp16 Methyltransferase + 2'-O-methylated m7GpppA Cap-1 and SAH Determined by Fixed-Target Serial Crystallography)
-
Dimension: 94 X 94 X 94sysinfo
Number of total atoms: 77504
Number of water molecules: 23611
Number of K+/CL- ions: 67 / 73PDB File Tarball • PDB ID: 7JME (NSP3 Macro X domain in complex with cyclic AMP)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31928
Number of water molecules: 9771
Number of K+/CL- ions: 28 / 28PDB File Tarball • PDB ID: 6WC1 (Peptide-bound SARS-CoV-2 Nsp9 RNA-replicase)
-
Dimension: 90 X 90 X 90sysinfo
Number of total atoms: 67948
Number of water molecules: 21454
Number of K+/CL- ions: 61 / 69PDB File Tarball • PDB ID: 6XEZ (replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC)
-
Dimension: 195 X 195 X 195sysinfo
Number of total atoms: 698099
Number of water molecules: 218113
Number of K+/CL- ions: 652 / 618PDB File Tarball • PDB ID: 6ZN5 (Nsp1 bound to a pre-40S-like ribosome complex - state 2)
-
Dimension: 284 X 284 X 284sysinfo
Number of total atoms: 2148760
Number of water molecules: 666190
Number of K+/CL- ions: 3100 / 1891PDB File Tarball • PDB ID: 6ZOK (Nsp1-40S complex, focused on body)
-
Dimension: 257 X 257 X 257sysinfo
Number of total atoms: 1588515
Number of water molecules: 498819
Number of K+/CL- ions: 2106 / 1421PDB File Tarball • PDB ID: 6ZCT (nsp10)
-
Dimension: 64 X 64 X 64sysinfo
Number of total atoms: 24598
Number of water molecules: 7583
Number of K+/CL- ions: 21 / 25PDB File Tarball • PDB ID: 6X4I (NSP15 Endoribonuclease + 3'-uridinemonophosphate)
-
Dimension: 134 X 134 X 134sysinfo
Number of total atoms: 225990
Number of water molecules: 64145
Number of K+/CL- ions: 249 / 180PDB File Tarball • PDB ID: 6WXD (Nsp9 RNA-replicase)
-
Dimension: 90 X 90 X 90sysinfo
Number of total atoms: 68068
Number of water molecules: 21494
Number of K+/CL- ions: 61 / 70PDB File Tarball • PDB ID: 6WZO (Nucleocapsid dimerization domain, P1 form)
-
Dimension: 76 X 76 X 76sysinfo
Number of total atoms: 41135
Number of water molecules: 12527
Number of K+/CL- ions: 35 / 46PDB File Tarball • PDB ID: 6WZQ (Nucleocapsid dimerization domain, P21 form)
-
Dimension: 77 X 77 X 77sysinfo
Number of total atoms: 42887
Number of water molecules: 13073
Number of K+/CL- ions: 36 / 46PDB File Tarball • PDB ID: 6X1B (NSP15 Endoribonuclease + Product Nucleotide GpU)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 236730
Number of water molecules: 67676
Number of K+/CL- ions: 267 / 189PDB File Tarball • PDB ID: 6WVN (Nsp16-Nsp10 + 7-methyl-GpppA + S-Adenosylmethionine)
-
Dimension: 95 X 95 X 95sysinfo
Number of total atoms: 79786
Number of water molecules: 24320
Number of K+/CL- ions: 96 / 69PDB File Tarball • PDB ID: 6WRZ (Nsp16-Nsp10 Heterodimer + 7-methyl-GpppA + S-adenosyl-L-homocysteine in the Active Site + Sulfates in the mRNA Binding Groove)
-
Dimension: 94 X 94 X 94sysinfo
Number of total atoms: 77460
Number of water molecules: 23563
Number of K+/CL- ions: 84 / 67PDB File Tarball • PDB ID: 6YZ1 (nsp10-nsp16 methyltransferase + Sinefungin)
-
Dimension: 92 X 92 X 92sysinfo
Number of total atoms: 72763
Number of water molecules: 22096
Number of K+/CL- ions: 62 / 68PDB File Tarball • PDB ID: 6WTC (Second Form Co-factor Complex NSP7 + C-terminal Domain of NSP8)
-
Dimension: 91 X 91 X 91sysinfo
Number of total atoms: 70337
Number of water molecules: 21412
Number of K+/CL- ions: 62 / 60PDB File Tarball • PDB ID: 6WQD (Co-factor Complex of NSP7 + C-terminal Domain of NSP8)
-
Dimension: 117 X 117 X 117sysinfo
Number of total atoms: 151752
Number of water molecules: 48491
Number of K+/CL- ions: 137 / 137PDB File Tarball • PDB ID: 6WEY (NSP3 Macro X domain)
-
Dimension: 71 X 71 X 71sysinfo
Number of total atoms: 33412
Number of water molecules: 10247
Number of K+/CL- ions: 29 / 29PDB File Tarball • PDB ID: 6WIQ (NSP7-C-domain of NSP8)
-
Dimension: 120 X 120 X 120sysinfo
Number of total atoms: 163103
Number of water molecules: 52223
Number of K+/CL- ions: 156 / 148PDB File Tarball • PDB ID: 6WJI (C-terminal Dimerization Domain of Nucleocapsid Phosphoprotein)
-
Dimension: 76 X 76 X 76sysinfo
Number of total atoms: 41196
Number of water molecules: 12562
Number of K+/CL- ions: 35 / 42PDB File Tarball • PDB ID: 6WJT (Nsp16-Nsp10 Heterodimer + S-Adenosyl-L-Homocysteine)
-
Dimension: 100 X 100 X 100sysinfo
Number of total atoms: 93712
Number of water molecules: 29015
Number of K+/CL- ions: 82 / 87PDB File Tarball • PDB ID: 6WKQ (NSP16-NSP10 Heterodimer + Sinefungin)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102615
Number of water molecules: 31976
Number of K+/CL- ions: 90 / 95PDB File Tarball • PDB ID: 6WKS (NSP16/NSP10 ternary complex)
-
Dimension: 125 X 125 X 125sysinfo
Number of total atoms: 183506
Number of water molecules: 56768
Number of K+/CL- ions: 161 / 173PDB File Tarball • PDB ID: 6WLC (NSP15 Endoribonuclease + Uridine-5'-Monophosphate)
-
Dimension: 134 X 134 X 134sysinfo
Number of total atoms: 225799
Number of water molecules: 64065
Number of K+/CL- ions: 251 / 179PDB File Tarball • PDB ID: 6WOJ (NSP3 (macrodomain) + ADP ribose)
-
Dimension: 73 X 73 X 73sysinfo
Number of total atoms: 36258
Number of water molecules: 11180
Number of K+/CL- ions: 32 / 32PDB File Tarball • PDB ID: 6WQ3 (Nsp16-Nsp10 Heterodimer +7-methyl-GpppA + S-adenosyl-L-homocysteine)
-
Dimension: 95 X 95 X 95sysinfo
Number of total atoms: 80155
Number of water molecules: 24462
Number of K+/CL- ions: 69 / 76PDB File Tarball • PDB ID: 6YHU (NSP7-NSP8 complex)
-
Dimension: 76 X 76 X 76sysinfo
Number of total atoms: 41286
Number of water molecules: 12753
Number of K+/CL- ions: 38 / 36PDB File Tarball • PDB ID: 6YWK (NSP3 macrodomain + HEPES)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31961
Number of water molecules: 9746
Number of K+/CL- ions: 27 / 27PDB File Tarball • PDB ID: 6YWL (NSP3 (macrodomain) + ADP ribose)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31969
Number of water molecules: 9740
Number of K+/CL- ions: 27 / 27PDB File Tarball • PDB ID: 6YWM (NSP3 macrodomain + MES)
-
Dimension: 80 X 80 X 80sysinfo
Number of total atoms: 48271
Number of water molecules: 15177
Number of K+/CL- ions: 43 / 43PDB File Tarball • PDB ID: 7BV1 (NSP12-NSP7-NSP8 complex)
-
Dimension: 147 X 147 X 147sysinfo
Number of total atoms: 298869
Number of water molecules: 93255
Number of K+/CL- ions: 277 / 265PDB File Tarball • PDB ID: 6VWW (NSP15 Endoribonuclease)
-
Dimension: 134 X 134 X 134sysinfo
Number of total atoms: 225550
Number of water molecules: 64050
Number of K+/CL- ions: 251 / 179PDB File Tarball • PDB ID: 6W01 (NSP15 Endoribonuclease + Citrate)
-
Dimension: 134 X 134 X 134sysinfo
Number of total atoms: 225754
Number of water molecules: 64076
Number of K+/CL- ions: 251 / 179PDB File Tarball • PDB ID: 6W02 (ADP Ribose Phosphatase of NSP3 + ADP Ribose)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102972
Number of water molecules: 32524
Number of K+/CL- ions: 94 / 92PDB File Tarball • PDB ID: 6VXS (ADP ribose phosphatase of NSP3)
-
Dimension: 69 X 69 X 69sysinfo
Number of total atoms: 30520
Number of water molecules: 9309
Number of K+/CL- ions: 26 / 26PDB File Tarball • PDB ID: 6W4B (Nsp9 RNA binding protein)
-
Dimension: 91 X 91 X 91sysinfo
Number of total atoms: 70444
Number of water molecules: 22236
Number of K+/CL- ions: 63 / 71PDB File Tarball • PDB ID: 6W4H (NSP10 - NSP16 Complex)
-
Dimension: 98 X 98 X 98sysinfo
Number of total atoms: 88831
Number of water molecules: 27435
Number of K+/CL- ions: 77 / 82PDB File Tarball • PDB ID: 6W61 (methyltransferase-stimulatory factor complex of NSP10 and NSP16)
-
Dimension: 93 X 93 X 93sysinfo
Number of total atoms: 75637
Number of water molecules: 23049
Number of K+/CL- ions: 65 / 69PDB File Tarball • PDB ID: 6W6Y (ADP ribose phosphatase of NSP3 in complex with AMP)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31928
Number of water molecules: 9760
Number of K+/CL- ions: 30 / 27PDB File Tarball • PDB ID: 6W75 (NSP10 - NSP16 Complex)
-
Dimension: 100 X 100 X 100sysinfo
Number of total atoms: 93768
Number of water molecules: 29049
Number of K+/CL- ions: 82 / 87PDB File Tarball • PDB ID: 6W9Q (Peptide-bound Nsp9 RNA-replicase)
-
Dimension: 89 X 89 X 89sysinfo
Number of total atoms: 66022
Number of water molecules: 20704
Number of K+/CL- ions: 59 / 65PDB File Tarball • PDB ID: 6WCF (ADP ribose phosphatase of NSP3 in complex with MES)
-
Dimension: 70 X 70 X 70sysinfo
Number of total atoms: 31983
Number of water molecules: 9784
Number of K+/CL- ions: 28 / 28PDB File Tarball • PDB ID: 7B3B (Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -3 (structure 1))
-
Dimension: 148 X 148 X 148sysinfo
Number of total atoms: 304227
Number of water molecules: 95296
Number of K+/CL- ions: 301 / 272PDB File Tarball • PDB ID: 7B3C (Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -4 (structure 2))
-
Dimension: 157 X 157 X 157sysinfo
Number of total atoms: 363874
Number of water molecules: 115129
Number of K+/CL- ions: 358 / 328PDB File Tarball • PDB ID: 7B3D (Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with AMP at position -4 (structure 3))
-
Dimension: 147 X 147 X 147sysinfo
Number of total atoms: 298684
Number of water molecules: 93441
Number of K+/CL- ions: 296 / 266PDB File Tarball • PDB ID: 6Z5T (SARS-CoV-2 Macrodomain in complex with ADP-ribose)
-
Dimension: 85 X 85 X 85sysinfo
Number of total atoms: 57383
Number of water molecules: 17283
Number of K+/CL- ions: 49 / 49PDB File Tarball • PDB ID: 6Z6I (SARS-CoV-2 Macrodomain + ADP-HPD)
-
Dimension: 126 X 126 X 126sysinfo
Number of total atoms: 187995
Number of water molecules: 58911
Number of K+/CL- ions: 168 / 173PDB File Tarball • PDB ID: 6Z72 (SARS-CoV-2 Macrodomain + ADP-HPM)
-
Dimension: 127 X 127 X 127sysinfo
Number of total atoms: 193300
Number of water molecules: 60713
Number of K+/CL- ions: 172 / 173PDB File Tarball • PDB ID: 7C33 (Macro domain of SARS-CoV-2 in complex with ADP-ribose)
-
Dimension: 120 X 120 X 120sysinfo
Number of total atoms: 163349
Number of water molecules: 50914
Number of K+/CL- ions: 146 / 144PDB File Tarball • PDB ID: 7CYQ (Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis)
-
Dimension: 199 X 199 X 199sysinfo
Number of total atoms: 742641
Number of water molecules: 232573
Number of K+/CL- ions: 681 / 661PDB File Tarball • PDB ID: 7CZ4 (Structure of SARS-CoV-2 macro domain in complex with ADP-ribose)
-
Dimension: 86 X 86 X 86sysinfo
Number of total atoms: 59605
Number of water molecules: 18090
Number of K+/CL- ions: 51 / 51PDB File Tarball • PDB ID: 7D4F (Structure of COVID-19 RNA-dependent RNA polymerase bound to suramin)
-
Dimension: 143 X 143 X 143sysinfo
Number of total atoms: 275178
Number of water molecules: 85146
Number of K+/CL- ions: 253 / 242PDB File Tarball • PDB ID: 7KJR (Cryo-EM structure of SARS-CoV-2 ORF3a)
-
Dimension: 101 X 101 X 101sysinfo
Number of total atoms: 97020
Number of water molecules: 29792
Number of K+/CL- ions: 90 / 84PDB File Tarball • PDB ID: 7CXM (mini replication and transcription complex)
-
Dimension: 195 X 195 X 195sysinfo
Number of total atoms: 699050
Number of water molecules: 218567
Number of K+/CL- ions: 645 / 620PDB File Tarball • PDB ID: 7CXN (mini replication and transcription complex)
-
Dimension: 197 X 197 X 197sysinfo
Number of total atoms: 721848
Number of water molecules: 226153
Number of K+/CL- ions: 665 / 640PDB File Tarball • PDB ID: 7JJC (neuropilin-1 b1 domain + S1 C-end rule (CendR) peptide)
-
Dimension: 113 X 113 X 113sysinfo
Number of total atoms: 135548
Number of water molecules: 41586
Number of K+/CL- ions: 118 / 129PDB File Tarball • PDB ID: 7KDT (Human Tom70 + Orf9b)
-
Dimension: 125 X 125 X 125sysinfo
Number of total atoms: 183681
Number of water molecules: 58300
Number of K+/CL- ions: 171 / 166PDB File Tarball • PDB ID: 7AAP (RNA-dependent RNA polymerase + template:primer dsRNA and favipiravir-RTP)
-
Dimension: 138 X 138 X 138sysinfo
Number of total atoms: 246516
Number of water molecules: 75794
Number of K+/CL- ions: 236 / 215PDB File Tarball • PDB ID: 7JOX (Acyl-enzyme intermediate structure of Mpro + C-terminal autoprocessing sequence)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 111960
Number of water molecules: 34132
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 7JOY (Mpro C145A mutant + C-terminal autoprocessing sequence)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 111943
Number of water molecules: 34127
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 7JP1 (wild-type substrate free SARS-CoV-2 Mpro)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102474
Number of water molecules: 30976
Number of K+/CL- ions: 95 / 87PDB File Tarball • PDB ID: 7JX6 (ORF8 ENCODED ACCESSORY PROTEIN)
-
Dimension: 99 X 99 X 99sysinfo
Number of total atoms: 90520
Number of water molecules: 27922
Number of K+/CL- ions: 91 / 79PDB File Tarball • PDB ID: 7K7P (nonstuctural protein 1)
-
Dimension: 66 X 66 X 66sysinfo
Number of total atoms: 26701
Number of water molecules: 8266
Number of K+/CL- ions: 25 / 23PDB File Tarball • PDB ID: 7CJD (Structure of the proteinase from SARS-CoV-2)
-
Dimension: 123 X 123 X 123sysinfo
Number of total atoms: 174186
Number of water molecules: 51470
Number of K+/CL- ions: 145 / 159PDB File Tarball • PDB ID: 7CJM (PLpro in complex with GRL0617)
-
Dimension: 115 X 115 X 115sysinfo
Number of total atoms: 143586
Number of water molecules: 46103
Number of K+/CL- ions: 131 / 139PDB File Tarball • PDB ID: 7CMD (Favipiravir bound to replicating polymerase complex in the pre-catalytic state)
-
Dimension: 206 X 206 X 206sysinfo
Number of total atoms: 827797
Number of water molecules: 268743
Number of K+/CL- ions: 766 / 791PDB File Tarball • PDB ID: 7CTT (Favipiravir bound to replicating polymerase complex of SARS-CoV-2 in the pre-catalytic state)
-
Dimension: 140 X 140 X 140sysinfo
Number of total atoms: 258269
Number of water molecules: 79706
Number of K+/CL- ions: 264 / 226PDB File Tarball • PDB ID: 7JR3 (3CL protease crystallized under reducing conditions)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108597
Number of water molecules: 33069
Number of K+/CL- ions: 102 / 94PDB File Tarball • PDB ID: 7JTL (SARS-CoV-2 ORF8 accessory protein)
-
Dimension: 89 X 89 X 89sysinfo
Number of total atoms: 65886
Number of water molecules: 20829
Number of K+/CL- ions: 69 / 59PDB File Tarball • PDB ID: 7JUN (Joint neutron/X-ray structure of 3CL Mpro at rtp)
-
Dimension: 104 X 104 X 104sysinfo
Number of total atoms: 105228
Number of water molecules: 31892
Number of K+/CL- ions: 98 / 90PDB File Tarball • PDB ID: 6XRZ (Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome)
-
Dimension: 101 X 101 X 101sysinfo
Number of total atoms: 95977
Number of water molecules: 30967
Number of K+/CL- ions: 175 / 88PDB File Tarball • PDB ID: 6ZSL (Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution)
-
Dimension: 136 X 136 X 136sysinfo
Number of total atoms: 237879
Number of water molecules: 72993
Number of K+/CL- ions: 206 / 238PDB File Tarball • PDB ID: 7JFQ (3CL MainPro + de-oxidized C145)
-
Dimension: 102 X 102 X 102sysinfo
Number of total atoms: 99973
Number of water molecules: 30155
Number of K+/CL- ions: 93 / 85PDB File Tarball • PDB ID: 6XQS (3CL proteinase + Ligand SV6)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108499
Number of water molecules: 32911
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 6XQT (3CL proteinase + Ligand NNA)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 111890
Number of water molecules: 34034
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 6XQU (3CL proteinase + Ligand U5G)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108420
Number of water molecules: 32898
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 6XOA (3CL MainPro of SARS-CoV-2 with C145S mutation)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114321
Number of water molecules: 34917
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 6XG2 (3CL MainPro + oxidized Cys145)
-
Dimension: 98 X 98 X 98sysinfo
Number of total atoms: 88814
Number of water molecules: 27990
Number of K+/CL- ions: 83 / 79PDB File Tarball • PDB ID: 6XHU (3CL proteinase)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 111981
Number of water molecules: 34139
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 6Z4U (Crystallographic Structure of Orf9b)
-
Dimension: 92 X 92 X 92sysinfo
Number of total atoms: 72955
Number of water molecules: 23246
Number of K+/CL- ions: 66 / 66PDB File Tarball • PDB ID: 6ZCO (C-terminal Dimerization Domain of Nucleocapsid Phosphoprotein, crystal form II)
-
Dimension: 81 X 81 X 81sysinfo
Number of total atoms: 49526
Number of water molecules: 15234
Number of K+/CL- ions: 43 / 57PDB File Tarball • PDB ID: 6X2G (RdRp/RNA complex)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 242144
Number of water molecules: 74582
Number of K+/CL- ions: 232 / 211PDB File Tarball • PDB ID: 6XB2 (3CL proteinase + Ligand NEN + DMS)
-
Dimension: 106 X 106 X 106sysinfo
Number of total atoms: 111897
Number of water molecules: 34087
Number of K+/CL- ions: 104 / 96PDB File Tarball • PDB ID: 6XDC (Cryo-EM structure of ORF3a)
-
Dimension: 104 X 104 X 104sysinfo
Number of total atoms: 105381
Number of water molecules: 32917
Number of K+/CL- ions: 93 / 93PDB File Tarball • PDB ID: 7C8R (3CL Protease + TG-0203770)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108599
Number of water molecules: 32949
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 7C8T (3CL Protease + TG-0205221)
-
Dimension: 105 X 105 X 105sysinfo
Number of total atoms: 108528
Number of water molecules: 32928
Number of K+/CL- ions: 101 / 93PDB File Tarball • PDB ID: 6M1V (post fusion core of S2 subunit)
-
Dimension: 111 X 111 X 111sysinfo
Number of total atoms: 128520
Number of water molecules: 41125
Number of K+/CL- ions: 123 / 117PDB File Tarball • PDB ID: 7BZF (RNA-dependent RNA polymerase post-translocated catalytic complex)
-
Dimension: 139 X 139 X 139sysinfo
Number of total atoms: 253848
Number of water molecules: 77842
Number of K+/CL- ions: 248 / 219PDB File Tarball • PDB ID: 7C2K (RNA-dependent RNA polymerase pre-translocated catalytic complex)
-
Dimension: 140 X 140 X 140sysinfo
Number of total atoms: 257571
Number of water molecules: 78737
Number of K+/CL- ions: 261 / 223PDB File Tarball • PDB ID: 7BW4 (RNA-dependent RNA polymerase)
-
Dimension: 137 X 137 X 137sysinfo
Number of total atoms: 241773
Number of water molecules: 74233
Number of K+/CL- ions: 220 / 209PDB File Tarball • PDB ID: 6YYT (replicating SARS-CoV-2 polymerase)
-
Dimension: 173 X 173 X 173sysinfo
Number of total atoms: 488117
Number of water molecules: 154726
Number of K+/CL- ions: 499 / 440PDB File Tarball • PDB ID: 6W37 (ORF7A (encoded accessory protein))
-
Dimension: 60 X 60 X 60sysinfo
Number of total atoms: 20072
Number of water molecules: 6340
Number of K+/CL- ions: 18 / 18PDB File Tarball • PDB ID: 6WKP (RNA-binding domain nucleocapsid phosphoprotein (monoclinic crystal form))
-
Dimension: 87 X 87 X 87sysinfo
Number of total atoms: 61603
Number of water molecules: 19211
Number of K+/CL- ions: 54 / 68PDB File Tarball • PDB ID: 6WQF (3CL Mpro Active Site)
-
Dimension: 104 X 104 X 104sysinfo
Number of total atoms: 105372
Number of water molecules: 31940
Number of K+/CL- ions: 98 / 90PDB File Tarball • PDB ID: 6LVN (HR2 Domain)
-
Dimension: 81 X 81 X 81sysinfo
Number of total atoms: 49593
Number of water molecules: 15737
Number of K+/CL- ions: 61 / 45PDB File Tarball • PDB ID: 6LXT (Post Fusion Core of S2 subunit)
-
Dimension: 138 X 138 X 138sysinfo
Number of total atoms: 247595
Number of water molecules: 80598
Number of K+/CL- ions: 246 / 231PDB File Tarball • PDB ID: 6VYO (RNA Binding Domain of Nucleocapsid Phosphoprotein + Zn ions + MES ligands)
-
Dimension: 101 X 101 X 101sysinfo
Number of total atoms: 96674
Number of water molecules: 29562
Number of K+/CL- ions: 83 / 119PDB File Tarball • PDB ID: 6M2N (3CL protease in complex with a novel inhibito)
-
Dimension: 107 X 107 X 107sysinfo
Number of total atoms: 114499
Number of water molecules: 34962
Number of K+/CL- ions: 107 / 99PDB File Tarball • PDB ID: 6M2Q (3CL protease apo structure)
-
Dimension: 103 X 103 X 103sysinfo
Number of total atoms: 102529
Number of water molecules: 31005
Number of K+/CL- ions: 96 / 88PDB File Tarball • PDB ID: 6M3M (nucleocapsid protein N-terminal RNA binding domain)
-
Dimension: 73 X 73 X 73sysinfo
Number of total atoms: 36200
Number of water molecules: 11398
Number of K+/CL- ions: 32 / 37PDB File Tarball • PDB ID: 6M71 (RNA-dependent RNA polymerase in complex with cofactors)
-
Dimension: 140 X 140 X 140sysinfo
Number of total atoms: 258469
Number of water molecules: 80065
Number of K+/CL- ions: 238 / 227PDB File Tarball • PDB ID: 6YI3 (N-terminal RNA-binding domain of the nucleocapsid phosphoprotein)
-
Dimension: 78 X 78 X 78sysinfo
Number of total atoms: 44237
Number of water molecules: 14015
Number of K+/CL- ions: 40 / 45PDB File Tarball
Spike protein
S1-ACE2 complex
S1 RBD with antibody
Main protease
PanDDA analysis group deposition
Papain-like protease
Nuclear shuttle protein
Other proteins
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Problems, Questions, & Comments? / Contact / Forum / Copyright(c) 2006-2024 by the Im Lab