PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000365052868

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000365052868 Descriptor: 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine, Non-structural protein 3 Authors: Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. Deposit date: 2020-09-28 Release date: 2020-12-16 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1 Å) Cite: Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021

PanDDA分析小组提交条目：新型冠状病毒（SARS-CoV-2）非结构蛋白3（Non-structural protein 3，简称Nsp3）宏结构域与ZINC000365052868复合物的晶体结构。配体描述：6-[(1s,4s)-2-氮杂双环[2.2.2]辛烷-2-基]-5-氯嘧啶-4-胺。作者：Correy G.J.、Young I.D.、Thompson M.C.、Fraser J.S.。提交日期：2020-09-28；发布日期：2020-12-16；最后修订日期：2024-05-22。实验方法：X射线衍射（分辨率1 Å）。引用文献：通过晶体筛选与计算对接鉴定新型冠状病毒Nsp3宏结构域的片段结合配体，发表于《Science Advances》，2021年，第7卷。