PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib030 (Mpro-x2097)

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib030 (Mpro-x2097) Descriptor: (E)-1-(pyrimidin-2-yl)methanimine, 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, Keeley, A, Keseru, G.M, London, N, Walsh, M.A, von Delft, F. Deposit date: 2020-05-16 Release date: 2020-06-10 Last modified: 2026-02-18 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

PanDDA分析组提交的严重急性呼吸综合征冠状病毒2型（SARS-CoV-2）主蛋白酶片段筛选数据集——SARS-CoV-2主蛋白酶与Cov_HetLib030（Mpro-x2097）结合的晶体结构。描述项：(E)-1-(嘧啶-2-基)甲亚胺、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、Keeley A、Keseru G.M、London N、Walsh M.A、von Delft F。提交日期：2020-05-16；发布日期：2020-06-10；最后修改日期：2026-02-18。检测方法：X射线衍射（分辨率1.43埃）。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》，第11卷，2020年