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-fb82b63d-3 (Mpro-P0776)

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-fb82b63d-3 (Mpro-P0776) Descriptor: (1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-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 (2.19 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023

团队提交的COVID Moonshot项目来源的抑制剂与SARS-CoV-2主蛋白酶复合物晶体结构——结合MAT-POS-fb82b63d-3（Mpro-P0776）的SARS-CoV-2主蛋白酶晶体结构
配体描述：(1R)-7-氯-N-(异喹啉-4-基)-2-甲基-1,2,3,4-四氢异喹啉-1-甲酰胺、3C样蛋白酶、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年8月11日
发布日期：2023年11月8日
最后更新日期：2023年12月6日
实验方法：X射线衍射（分辨率2.19埃）
引用文献：《强效非共价型SARS-CoV-2主蛋白酶抑制剂的开放科学发现》，《科学》（*Science*），第382卷，2023年