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 EDJ-MED-8bb691af-4 (Mpro-P2222)

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 EDJ-MED-8bb691af-4 (Mpro-P2222) Descriptor: 2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide, 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 (1.899 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023

新冠登月计划（COVID Moonshot）项目来源的抑制剂复合SARS-CoV-2主蛋白酶（SARS-CoV-2 main protease）群体沉积数据集——SARS-CoV-2主蛋白酶与EDJ-MED-8bb691af-4（Mpro-P2222）结合的晶体结构
描述项：2-[(3'S)-6-氯-1'-(异喹啉-4-基)-2'-氧代-1H-螺[异喹啉-4,3'-吡咯烷]-2(3H)-基]-N-甲基乙酰胺、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
沉积日期：2023年8月11日
发布日期：2023年11月8日
最后修改日期：2023年12月6日
测试方法：X射线衍射（分辨率1.899 Å）
引用文献：《强效非共价SARS-CoV-2主蛋白酶抑制剂的开放科学发现》，《科学》，第382卷，2023年