PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054 Descriptor: 6-chlorotetrazolo[1,5-b]pyridazine, 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 (1.124 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021

PanDDA分析组提交的数据集：与SF054结合的新型冠状病毒（SARS-CoV-2）非结构蛋白3（Non-structural protein 3，简称Nsp3）宏结构域（macrodomain）晶体结构。配体描述符：6-氯四唑并[1,5-b]哒嗪（6-chlorotetrazolo[1,5-b]pyridazine）。作者：Fearson, 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。检测方法：X射线衍射（分辨率1.124 Å）。引用文献：《通过晶体学筛选与计算机对接鉴定新型冠状病毒SARS-CoV-2 Nsp3宏结构域的片段结合物》，《Science Advances》，2021年，第7卷。