PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z605596346

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z605596346 Descriptor: 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, 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: 2024-05-22 Method: X-RAY DIFFRACTION (1.125 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021

PanDDA分析组提交的晶体结构数据：新型冠状病毒2（SARS-CoV-2）非结构蛋白3（Non-structural protein 3，Nsp3）宏结构域与配体Z605596346的复合物晶体结构，该配体的化学描述为4-乙酰基-3-乙基-N,5-二甲基-1H-吡咯-2-甲酰胺。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：2024-05-22。研究方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.125埃。引用文献：通过晶体学筛选与计算机对接技术鉴定新型冠状病毒2的Nsp3宏结构域的片段结合位点，发表于《Science Advances》2021年第7卷。