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 DUN-NEW-f8ce3686-24 (Mpro-x10506)

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 DUN-NEW-f8ce3686-24 (Mpro-x10506) Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)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: 2024-10-23 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science, 382, 2023

本数据集为COVID Moonshot（新冠登月计划）来源的抑制剂与新型冠状病毒（SARS-CoV-2）主蛋白酶的群体沉积数据——具体为新型冠状病毒主蛋白酶与DUN-NEW-f8ce3686-24（Mpro-x10506）结合的晶体结构。
描述项：3C样蛋白酶（3C-like proteinase）、二甲基亚砜（DIMETHYL SULFOXIDE）、N-(2-{7-[(4-乙酰基哌嗪-1-基)甲基]-1H-吲哚-3-基}乙基)乙酰胺
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：2024-10-23
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.57 Å
引用文献：《强效非共价型新型冠状病毒主蛋白酶抑制剂的开放科学发现》，《科学》（Science），382卷，2023年