Crystal Structure of SARS-CoV-2 Main Protease M49I mutant in complex with Nirmatrelvir

Crystal Structure of SARS-CoV-2 Main Protease M49I mutant in complex with Nirmatrelvir Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab Authors: Noske, G.D, Godoy, A.S, Oliva, G. Deposit date: 2022-08-14 Release date: 2022-10-12 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.868 Å) Cite: Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease. J.Biol.Chem., 299, 2023

SARS-CoV-2主蛋白酶M49I突变体与奈玛特韦（Nirmatrelvir）复合物的晶体结构
描述：(1R,2S,5S)-N-{(1E,2S)-1-亚氨基-3-[(3S)-2-氧代吡咯烷-3-基]丙-2-基}-6,6-二甲基-3-[3-甲基-N-(三氟乙酰基)-L-缬氨酰]-3-氮杂双环[3.1.0]己烷-2-甲酰胺、二甲基亚砜（DIMETHYL SULFOXIDE）及复制酶多蛋白1ab（Replicase polyprotein 1ab）
作者：Noske, G.D.、Godoy, A.S.、Oliva, G.
提交日期：2022-08-14；发布日期：2022-10-12；最后修改日期：2024-11-13
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.868埃（Å）
引用文献：《SARS-CoV-2主蛋白酶天然多态性下奈玛特韦与恩司特韦活性的结构基础》（原英文标题：Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease），发表于《生物化学杂志》（J. Biol. Chem.），2023年，第299卷。