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 ALP-POS-87c86d55-1 (Mpro-x12143)

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 ALP-POS-87c86d55-1 (Mpro-x12143) Descriptor: 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide, 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 (1.509 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023

群体提交的SARS-CoV-2主蛋白酶（SARS-CoV-2 main protease）与COVID Moonshot（新冠登月计划）来源抑制剂复合物数据——SARS-CoV-2主蛋白酶与ALP-POS-87c86d55-1（Mpro-x12143）的晶体结构。配体描述：2-(1H-苯并三唑-1-基)-N-[4-(二甲氨基)苯基]-N-[(1,3-噻唑-4-基)甲基]乙酰胺、3C样蛋白酶（3C-like proteinase）、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。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.509埃。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。