PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102277

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102277 Descriptor: 1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE Authors: Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. Deposit date: 2020-03-15 Release date: 2020-03-25 Last modified: 2026-02-18 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

PanDDA分析组提交数据集——新型冠状病毒（SARS-CoV-2）主蛋白酶与PCM-0102277结合的共晶结构。化合物描述：1-{4-[(5-氯噻吩-2-基)甲基]哌嗪-1-基}乙-1-酮，3C样蛋白酶（3C-like proteinase），二甲基亚砜（DIMETHYL SULFOXIDE）。作者：Fearon, D、Owen, C.D、Douangamath, A、Lukacik, P、Powell, A.J、Strain-Damerell, C.M、Resnick, E、Krojer, T、Gehrtz, P、Wild, C、Aimon, A、Brandao-Neto, J、Carbery, A、Dunnett, L、Skyner, R、Snee, M、London, N、Walsh, M.A、von Delft, F。提交日期：2020-03-15；发布日期：2020-03-25；最后修改日期：2026-02-18。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.58埃（Å）。引用文献：《SARS-CoV-2主蛋白酶的晶体学与亲电片段筛选》，《自然·通讯（Nat Commun）》，第11卷，2020年。