6W79
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6M0K
| The crystal structure of COVID-19 main protease in complex with an inhibitor 11b | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | Deposit date: | 2020-02-22 | Release date: | 2020-04-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.504 Å) | Cite: | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science, 368, 2020
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6LZE
| The crystal structure of COVID-19 main protease in complex with an inhibitor 11a | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Zhang, B, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | Deposit date: | 2020-02-19 | Release date: | 2020-04-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.505 Å) | Cite: | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science, 368, 2020
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7OAQ
| Nanobody H3 AND C1 bound to RBD with Kent mutation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ... | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-20 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19. Nat Commun, 12, 2021
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7OAO
| Nanobody C5 bound to RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ... | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-19 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19. Nat Commun, 12, 2021
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7OAP
| Nanobody H3 AND C1 bound to RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ... | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-19 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19. Nat Commun, 12, 2021
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7OAN
| Nanobody C5 bound to Spike | 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: | Naismith, J.H, Weckener, M. | Deposit date: | 2021-04-19 | Release date: | 2021-08-11 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19. Nat Commun, 12, 2021
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7OAY
| Nanobody F2 bound to RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1 | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-20 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19. Nat Commun, 12, 2021
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7OAU
| Nanobody C5 bound to Kent variant RBD (N501Y) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ... | Authors: | Naismith, J.H, Mikolajek, H. | Deposit date: | 2021-04-20 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19. Nat Commun, 12, 2021
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8TV6
| SARS-CoV-2 Mac1 in complex with MDOLL-0169 | Descriptor: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Wazir, S, Maksimainen, M, Lehtio, L. | Deposit date: | 2023-08-17 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 67, 2024
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8TV7
| SARS-CoV-2 Mac1 in complex with MDOLL-0229 | Descriptor: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, GLYCEROL, Papain-like protease nsp3 | Authors: | Wazir, S, Maksimainen, M, Lehtio, L. | Deposit date: | 2023-08-17 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 67, 2024
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6W81
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6WCO
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6WTT
| Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Sacco, M, Ma, C, Chen, Y, Wang, J. | Deposit date: | 2020-05-03 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease. Cell Res., 30, 2020
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6XE1
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8DIB
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8DIF
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8DIG
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8DIC
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8DIE
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8DII
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8DIH
| Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors | Descriptor: | (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5 | Authors: | Singh, I, Shoichet, B.K. | Deposit date: | 2022-06-29 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors. Protein Sci., 32, 2023
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8DID
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8F2E
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8GB5
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 25F9 | Descriptor: | 25F9 Heavy chain, 25F9 Light chain, BICINE, ... | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | Deposit date: | 2023-02-24 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine. Sci Transl Med, 15, 2023
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