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 BAR-COM-0f94fc3d-59 (Mpro-x10645)

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 BAR-COM-0f94fc3d-59 (Mpro-x10645) Descriptor: (7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE 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 (1.829 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023

本数据集收录自新冠登月计划（COVID Moonshot）提交的新型冠状病毒（SARS-CoV-2）主蛋白酶与抑制剂复合物——新型冠状病毒主蛋白酶与BAR-COM-0f94fc3d-59（Mpro-x10645）复合物的晶体结构。
配体描述：(7R)-N-(4-乙酰氨基吡啶-3-基)-4-氟双环[4.2.0]辛-1,3,5-三烯-7-甲酰胺、3C样蛋白酶、二甲基亚砜（Dimethyl Sulfoxide）
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：2023-12-06
检测方法：X射线衍射（分辨率1.829埃）
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