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 DAR-DIA-23aa0b97-6 (Mpro-x10178)

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 DAR-DIA-23aa0b97-6 (Mpro-x10178) Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)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: 2023-12-06 Method: X-RAY DIFFRACTION (1.865 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023

本数据集为来自新冠登月研究计划（COVID Moonshot）的SARS-CoV-2主蛋白酶（SARS-CoV-2 main protease）-抑制剂复合物晶体结构，具体为SARS-CoV-2主蛋白酶与DAR-DIA-23aa0b97-6（Mpro-x10178）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-(5-氰基吡啶-3-基)-2-(吡啶-3-基)乙酰胺（N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide）
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
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.865 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》（Science），第382卷，2023年