5SML

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)

5SML の概要

• エントリーDOI: 10.2210/pdb5sml/pdb
• Group deposition: PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework (G_1002232)
• 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, 6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide, ... (4 entities in total)
• 機能のキーワード: diamond i04-1, single sequence-guideddeep generative framework, pandda, hydrolase
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34406.18

構造登録者

Fearon, D.,Owen, C.D.,Lukacik, P.,Strain-Damerell, C.M.,von Delft, F. (登録日: 2022-04-20, 公開日: 2023-04-26, 最終更新日: 2024-05-22)

• 主引用文献: Fearon, D.,Owen, C.D.,Lukacik, P.,Strain-Damerell, C.M.,von Delft, F.; PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework; To Be Published,

実験手法

X-RAY DIFFRACTION (1.53 Å)