Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14
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Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14 Descriptor: (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 Authors: Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. Deposit date: 2022-07-05 Release date: 2022-09-28 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity. J.Med.Chem., 65, 2022
严重急性呼吸综合征冠状病毒2型（SARS-CoV-2）主蛋白酶（main protease, MPro）与非共价抑制剂GC-14的共晶结构
配体描述：(2S)-1-(3,4-二氯苯基)-4-吡啶-3-基羰基-N-(噻吩-2-基甲基)哌嗪-2-甲酰胺，作用靶点为3C样蛋白酶nsp5（3C-like proteinase nsp5）
作者：Strater, N、Muller, C、Sylvester, K、Claff, T、Weisse, R.H、Gao, S、Tollefson, A.E、Liu, X、Zhan, P
存入日期：2022-07-05
发布日期：2022-09-28
最后修改日期：2024-01-31
实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率1.4埃（Å））
引用文献：《三取代哌嗪衍生物作为靶向特异性高、低毒性的非共价型SARS-CoV-2主蛋白酶抑制剂的发现与晶体学研究》，J.Med.Chem., 65, 2022
创建时间：
2022-07-05
