PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1619978933 (Mpro-x0395)

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1619978933 (Mpro-x0395) Descriptor: 3C-like proteinase, 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine, 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: 2020-04-07 Release date: 2020-04-15 Last modified: 2026-02-18 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

PanDDA分析小组存档的SARS-CoV-2主蛋白酶片段筛选数据集——结合配体Z1619978933（Mpro-x0395）的SARS-CoV-2主蛋白酶晶体结构。数据集描述：3C样蛋白酶（3C-like proteinase）、5-氟-1-[(5-甲基-1,3,4-噻二唑-2-基)甲基]-1,2,3,6-四氢吡啶、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。存档日期：2020-04-07；发布日期：2020-04-15；最后修改日期：2026-02-18。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.7埃（1.7 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。