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-d2866bdf-1 (Mpro-x10876)

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-d2866bdf-1 (Mpro-x10876) Descriptor: 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-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 (1.809 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023

课题组提交的、源自COVID登月计划（COVID Moonshot）抑制剂的SARS-CoV-2主蛋白酶（SARS-CoV-2 main protease）复合物数据集——SARS-CoV-2主蛋白酶与ALP-POS-d2866bdf-1（Mpro-x10876）的复合物晶体结构。配体描述：2-(1H-苯并三唑-1-基)-N-[4-(二甲氨基)苯基]-N-[(噻吩-3-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1.809 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》，382卷，2023年。