8GXG
| The crystal structure of SARS-CoV-2 main protease in complex with 14a | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | Deposit date: | 2022-09-20 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | The crystal structure of SARS-CoV-2 main protease in complex with 14a To Be Published
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8GXI
| The crystal structure of SARS-CoV-2 main protease in complex with 14c | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | Deposit date: | 2022-09-20 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | The crystal structure of SARS-CoV-2 main protease in complex with 14c To Be Published
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8GXH
| The crystal structure of SARS-CoV-2 main protease in complex with 14b | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | Deposit date: | 2022-09-20 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | The crystal structure of SARS-CoV-2 main protease in complex with 14b To Be Published
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7DEU
| Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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7DEO
| Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ... | Authors: | Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-04 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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7DET
| Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
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8H3G
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | Authors: | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | Deposit date: | 2022-10-08 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H3L
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | Deposit date: | 2022-10-08 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H3K
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ... | Authors: | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | Deposit date: | 2022-10-08 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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7CXN
| Architecture of a SARS-CoV-2 mini replication and transcription complex | Descriptor: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | Authors: | Yan, L, Zhang, Y, Ge, J, Zheng, L, Gao, Y, Wang, T, Jia, Z, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z. | Deposit date: | 2020-09-02 | Release date: | 2020-11-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | Architecture of a SARS-CoV-2 mini replication and transcription complex. Nat Commun, 11, 2020
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7CXM
| Architecture of a SARS-CoV-2 mini replication and transcription complex | Descriptor: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | Authors: | Yan, L, Zhang, Y, Ge, J, Zheng, L, Gao, Y, Wang, T, Jia, Z, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z. | Deposit date: | 2020-09-02 | Release date: | 2020-11-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Architecture of a SARS-CoV-2 mini replication and transcription complex. Nat Commun, 11, 2020
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7F52
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7BQY
| THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-04-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
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7CYQ
| Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Helicase, MAGNESIUM ION, ... | Authors: | Yan, L, Ge, J, Zheng, L, Zhang, Y, Gao, Y, Wang, T, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z. | Deposit date: | 2020-09-04 | Release date: | 2020-12-09 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Cryo-EM Structure of an Extended SARS-CoV-2 Replication and Transcription Complex Reveals an Intermediate State in Cap Synthesis. Cell, 184, 2021
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6M71
| SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase | Authors: | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | Deposit date: | 2020-03-16 | Release date: | 2020-04-01 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of the RNA-dependent RNA polymerase from COVID-19 virus. Science, 368, 2020
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7BZF
| COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ... | Authors: | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | Deposit date: | 2020-04-27 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase. Cell, 182, 2020
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7CJF
| Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | Authors: | Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z. | Deposit date: | 2020-07-10 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes. Nat Commun, 12, 2021
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7C2K
| COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ... | Authors: | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | Deposit date: | 2020-05-07 | Release date: | 2020-06-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase. Cell, 182, 2020
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7CAI
| SARS-CoV-2 S trimer with two RBDs in the open state and complexed with two H014 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H014 Fab, ... | Authors: | Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X. | Deposit date: | 2020-06-08 | Release date: | 2020-09-23 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody. Science, 369, 2020
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7CAH
| The interface of H014 Fab binds to SARS-CoV-2 S | Descriptor: | Heavy chain of H014 Fab, Light chain of H014 Fab, Spike protein S1 | Authors: | Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Rao, Z, wang, Y, Qin, C, Wang, X. | Deposit date: | 2020-06-08 | Release date: | 2020-08-12 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody. Science, 369, 2020
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7CAK
| SARS-CoV-2 S trimer with three RBD in the open state and complexed with three H014 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H014 Fab, ... | Authors: | Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X. | Deposit date: | 2020-06-08 | Release date: | 2020-09-23 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody. Science, 369, 2020
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7CAB
| Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X. | Deposit date: | 2020-06-08 | Release date: | 2020-12-16 | Last modified: | 2021-03-10 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody. Science, 369, 2020
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7CAC
| SARS-CoV-2 S trimer with one RBD in the open state and complexed with one H014 Fab. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H014 Fab, ... | Authors: | Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X. | Deposit date: | 2020-06-08 | Release date: | 2021-02-24 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody. Science, 369, 2020
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7VMU
| Crystal Structure of SARS-CoV Spike Receptor-Binding Domain Complexed with Neutralizing Antibody | Descriptor: | Spike protein S1, scFv E4 | Authors: | Guo, Y, Wang, W, Jiao, P, Yang, H, Rao, Z, Cheng, G. | Deposit date: | 2021-10-09 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Antibody engineering improves neutralization activity against K417 spike mutant SARS-CoV-2 variants. Cell Biosci, 12, 2022
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7VH8
| Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Zhao, Y, Zhang, Q, Yang, H, Rao, Z. | Deposit date: | 2021-09-21 | Release date: | 2021-11-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332. Protein Cell, 13, 2022
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