PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z287484230

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z287484230 Descriptor: 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide, 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 (1.185 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021

PanDDA分析小组提交的数据集——严重急性呼吸综合征冠状病毒2（SARS-CoV-2）非结构蛋白3（Non-structural protein 3, Nsp3）宏结构域（macrodomain）与配体Z287484230的共晶结构，配体描述为2-(1,3,5-三甲基-1H-吡唑-4-基)乙酰胺。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（X-RAY DIFFRACTION），分辨率1.185埃。引用文献：通过晶体学筛选（crystallographic screening）与计算机对接（computational docking）鉴定出结合SARS-CoV-2 Nsp3宏结构域的片段配体，刊载于《科学进展》（Sci Adv），2021年，第7卷。