7O46
| Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17 | Descriptor: | 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5 | Authors: | Talibov, V.O. | Deposit date: | 2021-04-05 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses. J.Am.Chem.Soc., 144, 2022
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7EK6
| Structure of viral peptides IPB19/N52 | Descriptor: | Spike protein S2 | Authors: | Yu, D, Qin, B, Cui, S, He, Y. | Deposit date: | 2021-04-04 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.243 Å) | Cite: | Structure-based design and characterization of novel fusion-inhibitory lipopeptides against SARS-CoV-2 and emerging variants. Emerg Microbes Infect, 10, 2021
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7EK0
| Complex Structure of antibody BD-503 and RBD-N501Y of COVID-19 | Descriptor: | Heavy Chain of BD-503, Light Chain of BD-503, Spike protein S1 | Authors: | Xu, H, Wang, B, Zhao, T.N, Su, X.D. | Deposit date: | 2021-04-03 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants. Cell Res., 31, 2021
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7EJZ
| Complex Structure of antibody BD-503 and RBD-S477N of COVID-19 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ... | Authors: | Xu, H, Wang, B, Zhao, T.N, Su, X.D. | Deposit date: | 2021-04-03 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.63 Å) | Cite: | Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants. Cell Res., 31, 2021
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7EJY
| Complex Structure of antibody BD-503 and RBD of COVID-19 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ... | Authors: | Xu, H, Wang, B, Zhao, T.N, Su, X.D. | Deposit date: | 2021-04-03 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants. Cell Res., 31, 2021
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7MBI
| Structure of SARS-CoV2 3CL protease covalently bound to peptidomimetic inhibitor | Descriptor: | 2,4,6-trimethylpyridine-3-carboxylic acid, 3C-like proteinase, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | Authors: | Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. | Deposit date: | 2021-03-31 | Release date: | 2021-07-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Peptidomimetic alpha-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and in Vitro Biological Stability. J.Med.Chem., 65, 2022
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7MB9
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7MB4
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7MB7
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7MB8
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7MB5
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7MB6
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7MAZ
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7MB3
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7MAT
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7MB2
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7MB1
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7MAW
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7MAV
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7MAX
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7MAU
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7MB0
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7EIN
| SARS-CoV-2 main proteinase complex with microbial metabolite leupeptin | Descriptor: | 3C-like proteinase, leupeptin | Authors: | Fu, L.F, Feng, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2021-03-31 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of Microbial Metabolite Leupeptin in the Treatment of COVID-19 by Traditional Chinese Medicine Herbs. Mbio, 12, 2021
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7MBG
| SARS-CoV-2 Main protease in orthorhombic space group | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Douangamath, A, von Delft, F, Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | Deposit date: | 2021-03-31 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process. J.Mol.Biol., 433, 2021
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7M8Y
| CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 15 | Descriptor: | 3C-like proteinase, 5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2021-03-30 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease. Structure, 29, 2021
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