Crystal structure of SARS-CoV-2 3CL protease in complex with a p-fluorodimethyl oxybenzene inhibitor

Crystal structure of SARS-CoV-2 3CL protease in complex with a p-fluorodimethyl oxybenzene inhibitor Descriptor: (1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide, ... Authors: Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. Deposit date: 2022-08-22 Release date: 2022-09-14 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.6 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

新型冠状病毒2型（SARS-CoV-2）3CL蛋白酶与对氟二甲基氧基苯类抑制剂的共晶结构
描述：(1S,2S)-2-[(N-{[2-(4-氟苯氧基)-2-甲基丙氧基]羰基}-L-亮氨酰)氨基]-1-羟基-3-[(3S)-2-氧代吡咯烷-3-基]丙烷-1-磺酸、3C样蛋白酶（3C-like proteinase）、N₂-{[2-(4-氟苯氧基)-2-甲基丙氧基]羰基}-N-{(1R,2S)-1-羟基-3-[(3S)-2-氧代吡咯烷-3-基]-1-巯基丙-2-基}-L-亮氨酰胺……
作者：Lovell S、Liu L、Battaile K.P、Miller M.J、Groutas W.C.
提交日期：2022-08-22
发布日期：2022-09-14
最后修改日期：2024-11-06
测试方法：X射线衍射（1.6 Å）
引用文献：基于结构导向设计的直接作用抗病毒药物：利用偕二甲基效应强效抑制新型冠状病毒2型（SARS-CoV-2）与中东呼吸综合征冠状病毒（MERS-CoV）的3CL蛋白酶. 欧洲药物化学杂志（Eur.J.Med.Chem.）, 254, 2023