PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z57328552

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z57328552 Descriptor: 2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol, DIMETHYL SULFOXIDE, Protease 3C Authors: Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. Deposit date: 2023-08-24 Release date: 2023-11-29 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.32 Å) Cite: Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals. Biorxiv, 2024

PanDDA分析组提交数据集：肠道病毒D68型3C蛋白酶与Z57328552复合物的晶体结构，配体表征为2-甲基-2-{[(3-甲基噻吩-2-基)甲基]氨基}丙-1-醇、二甲基亚砜与3C蛋白酶。作者：Lithgo, R.M.、Fairhead, M.、Koekemoer, L.、Aschenbrenner, J.C.、Balcomb, B.H.、Godoy, A.S.、Marples, P.G.、Ni, X.、Tomlinson, C.W.E.、Thompson, W.、Wild, C.、Fearon, D.、Walsh, M.A.、von Delft, F.。提交日期：2023-08-24；发布日期：2023-11-29；末次修改日期：2024-10-16。实验方法：X射线衍射（分辨率1.32埃）。引用文献：《柯萨奇病毒A16型2A蛋白酶的晶体片段筛选发现广谱抗肠病毒药物开发新契机》，BioRxiv，2024年。