PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1139246057

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1139246057 Descriptor: (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine, 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 (1.06 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021

PanDDA分析小组提交数据集——与Z1139246057结合的严重急性呼吸综合征冠状病毒2型（SARS-CoV-2）非结构蛋白3（Non-structural protein 3，Nsp3）宏结构域（macrodomain）晶体复合物结构。结构描述符：(3R)-N-甲基-1-(哒嗪-3-基)哌啶-3-胺。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（分辨率1.06埃）。引用文献：通过晶体学筛选与计算机对接鉴定出结合SARS-CoV-2 Nsp3宏结构域的片段。Science Advances, 7, 2021