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Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication)

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Protein Data Bank Japan2024-11-20 更新2026-05-23 收录
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Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication) Descriptor: (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5 Authors: Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A. Deposit date: 2023-12-21 Release date: 2024-05-29 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. J.Med.Chem., 67, 2024

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2023-12-21
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