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 NIR-THE-c331be7a-2 (Mpro-x10678)

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 NIR-THE-c331be7a-2 (Mpro-x10678) Descriptor: 3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile, 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: 2024-10-30 Method: X-RAY DIFFRACTION (1.571 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023

COVID Moonshot项目来源抑制剂与严重急性呼吸综合征冠状病毒2型（SARS-CoV-2）主蛋白酶复合物的集群提交数据——结合配体NIR-THE-c331be7a-2（Mpro-x10678）的SARS-CoV-2主蛋白酶晶体结构
描述项：3-[(4R)-2-乙酰基-1,2,3,4-四氢异喹啉-4-基]苄腈、3C样蛋白酶（3C-like proteinase）、二甲基亚砜
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.
提交日期：2023年8月11日
发布日期：2023年11月8日
最后修改日期：2024年10月30日
实验方法：X射线衍射（波长1.571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