PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z68337194 (Mpro-IBM0045)

PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z68337194 (Mpro-IBM0045) Descriptor: 3C-like proteinase, 6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide, DIMETHYL SULFOXIDE Authors: Fearon, D, Owen, C.D, Lukacik, P, Strain-Damerell, C.M, von Delft, F. Deposit date: 2022-04-20 Release date: 2023-04-26 Last modified: 2026-02-18 Method: X-RAY DIFFRACTION (1.53 Å) Cite: PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework To Be Published

PanDDA分析工作组存档的、由单序列引导深度生成框架鉴定的严重急性呼吸综合征冠状病毒2（SARS-CoV-2）主蛋白酶配体数据集——与Z68337194（Mpro-IBM0045）结合的SARS-CoV-2主蛋白酶晶体结构。结构描述项：3C样蛋白酶（3C-like proteinase）、6-{[(3,4-二氯苯基)甲基](甲基)氨基}吡啶-3-磺酰胺、二甲基亚砜（DIMETHYL SULFOXIDE）。作者：Fearon, D、Owen, C.D、Lukacik, P、Strain-Damerell, C.M、von Delft, F.。存档日期：2022-04-20；发布日期：2023-04-26；最后修改日期：2026-02-18。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.53埃（1.53 Å）。引用信息：PanDDA分析工作组存档的、由单序列引导深度生成框架鉴定的SARS-CoV-2主蛋白酶配体，待发表。