Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate

Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate Authors: Zhang, L, Lin, D, Hilgenfeld, R. Deposit date: 2020-03-01 Release date: 2020-03-18 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors. Science, 368, 2020

严重急性呼吸综合征冠状病毒（SARS-CoV）主蛋白酶与叔丁基(1-((S)-3-环己基-1-(((S)-4-(环丙基氨基)-3,4-二氧代-1-((S)-2-氧代吡咯烷-3-基)丁烷-2-基)氨基)-1-氧代丙烷-2-基)-2-氧代-1,2-二氢吡啶-3-基)氨基甲酸酯反应生成的复合物的晶体结构。描述符：3C样蛋白酶（3C-like proteinase）、二甲基亚砜（DIMETHYL SULFOXIDE）、~{叔丁基}~{N}-[1-[(2~{S})-3-环己基-1-[[(2~{S},3~{R})-4-(环丙基氨基)-3-羟基-4-氧代-1-[(3~{R})-2-氧代-3,4-二氢吡咯-3-基]丁烷-2-基]氨基]-1-氧代丙烷-2-基]-2-氧代吡啶-3-基]氨基甲酸酯。作者：Zhang L、Lin D、Hilgenfeld R。沉积日期：2020-03-01；发布日期：2020-03-18；最后修改日期：2024-10-23。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.9埃（Å）。引用文献：《严重急性呼吸综合征冠状病毒2型（SARS-CoV-2）主蛋白酶的晶体结构为改良α-酮酰胺抑制剂的设计提供依据》，《科学》（Science），2020年，第368卷。