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 MAT-POS-5cd9ea36-2 (Mpro-P2089)

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 MAT-POS-5cd9ea36-2 (Mpro-P2089) Descriptor: (4S)-6-chloro-2-(cyclopropylsulfamoyl)-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: 2023-12-06 Method: X-RAY DIFFRACTION (1.709 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023

团队提交的新型冠状病毒（SARS-CoV-2）主蛋白酶与COVID Moonshot项目来源抑制剂的复合物晶体结构——新型冠状病毒主蛋白酶与MAT-POS-5cd9ea36-2（Mpro-P2089）的晶体结构
描述物：(4S)-6-氯-2-(环丙基磺酰胺基)-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
最后更新日期：2023-12-06
检测方法：X射线衍射（1.709 Å）
引用文献：《强效非共价新型冠状病毒主蛋白酶抑制剂的开放科学发现》，《科学》，382卷，2023年