Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NIR-WEI-dcc3321b-1 (Mpro-P2757)

Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NIR-WEI-dcc3321b-1 (Mpro-P2757) Descriptor: (4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ... Authors: Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. Deposit date: 2023-08-11 Release date: 2023-11-08 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.681 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023

新冠病毒（SARS-CoV-2）主蛋白酶与抑制剂复合物的集体提交——来自COVID登月计划（COVID Moonshot）的晶体结构：新冠病毒主蛋白酶与NIR-WEI-dcc3321b-1（Mpro-P2757）复合物的晶体结构
描述内容：(4S)-6-氯-2-{2-[4-(4-乙基哌嗪-1-基)苯胺基]-2-氧代乙基}-N-(异喹啉-4-基)-1,2,3,4-四氢异喹啉-4-甲酰胺、3C样蛋白酶（3C-like proteinase）、氯离子（CHLORIDE ION）等
作者：Fearon, D、Aimon, A、Aschenbrenner, J.C、Balcomb, B.H、Bertram, F.K.R、Brandao-Neto, J、Dias, A、Douangamath, A、Dunnett, L、Godoy, A.S、Gorrie-Stone, T.J、Koekemoer, L、Krojer, T、Lithgo, R.M、Lukacik, P、Marples, P.G、Mikolajek, H、Nelson, E、Owen, C.D、Powell, A.J、Rangel, V.L、Skyner, R、Strain-Damerell, C.M、Thompson, W、Tomlinson, C.W.E、Wild, C、Walsh, M.A、von Delft, F
提交日期：2023-08-11
发布日期：2023-11-08
最后修改日期：2023-11-29
实验方法：X射线衍射（分辨率1.681埃）
引用文献：《强效非共价型新冠病毒主蛋白酶抑制剂的开放科学发现》，《科学》（Science），第382卷，2023年