Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl sulfane inhibitor
收藏Protein Data Bank Japan2024-11-06 更新2026-03-21 收录
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Crystal structure of SARS-CoV-2 3CL protease in complex with a phenyl sulfane inhibitor Descriptor: (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... Authors: Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C. Deposit date: 2022-08-22 Release date: 2022-09-28 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
创建时间：
2022-08-22
