PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z50145861

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z50145861 Descriptor: 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, Non-structural protein 3 Authors: Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. Deposit date: 2020-11-02 Release date: 2021-01-13 Last modified: 2026-02-18 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021

PanDDA分析组提交数据集——新型冠状病毒(SARS-CoV-2)非结构蛋白3(Non-structural protein 3, Nsp3)宏结构域(macrodomain)与Z50145861复合物的晶体结构。描述符：5-甲基-2-苯基-2,4-二氢-3H-吡唑-3-酮。作者：Fearon, D、Schuller, M、Rangel, V.L、Douangamath, A、Rack, J.G.M、Zhu, K、Aimon, A、Brandao-Neto, J、Dias, A、Dunnet, L、Gorrie-Stone, T.J、Powell, A.J、Krojer, T、Skyner, R、Thompson, W、Ahel, I、von Delft, F。提交日期：2020-11-02；发布日期：2021-01-13；最后修改日期：2026-02-18。实验方法：X射线衍射(X-RAY DIFFRACTION)，分辨率1.17埃(Å)。引用文献：通过晶体学筛选与计算机对接鉴定出的与SARS-CoV-2 Nsp3宏结构域结合的片段。《Science Advances》，7卷，2021年