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 DAV-CRI-3edb475e-4 (Mpro-x3324)

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 DAV-CRI-3edb475e-4 (Mpro-x3324) Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide 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: 2024-11-13 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023

本数据集为新冠登月计划（COVID Moonshot）来源抑制剂与新型冠状病毒主蛋白酶（SARS-CoV-2 main protease）复合物的团体提交数据——具体为新型冠状病毒主蛋白酶与DAV-CRI-3edb475e-4（Mpro-x3324）的复合物晶体结构。描述关键词：3C样蛋白酶（3C-like proteinase）、二甲基亚砜（DIMETHYL SULFOXIDE）、N-[(1R)-1-(3-氯苯基)-2-羟乙基]乙酰胺
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：2023-08-11
发布日期：2023-11-08
最后修改日期：2024-11-13
实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率1.45埃）
引用：《强效非共价型新型冠状病毒主蛋白酶抑制剂的开放科学发现》，《科学》（Science），2023年，第382卷