7H0X

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013255-001

これはPDB形式変換不可エントリーです。

7H0X の概要

• エントリーDOI: 10.2210/pdb7h0x/pdb
• Group deposition: Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre (G_1002283)
• 分子名称: Papain-like protease nsp3, (4M)-1-methyl-4-(4-{[(1S)-2-methyl-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile (3 entities in total)
• 機能のキーワード: asap, avidd, diamond i04-1, crystallographic fragment screening, pandda, xchemexplorer, sars-cov-2, viral protein, hydrolase
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 37436.49

構造登録者

Aschenbrenner, J.C.,Fearon, D.,Tomlinson, C.W.E.,Marples, P.G.,Fairhead, M.,Balcomb, B.H.,Chandran, A.V.,Godoy, A.S.,Koekemoer, L.,Lithgo, R.M.,Ni, X.,Thompson, W.,Wang, S.,Wild, C.,Williams, E.P.,Winokan, M.,Walsh, M.A.,von Delft, F. (登録日: 2024-01-23, 公開日: 2024-05-15)

• 主引用文献: Aschenbrenner, J.C.,Fearon, D.,Tomlinson, C.W.E.,Marples, P.G.,Fairhead, M.,Balcomb, B.H.,Chandran, A.V.,Godoy, A.S.,Koekemoer, L.,Lithgo, R.M.,Ni, X.,Thompson, W.,Wang, S.,Wild, C.,Williams, E.P.,Winokan, M.,Walsh, M.A.,von Delft, F.; Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre; To Be Published,

実験手法

X-RAY DIFFRACTION (1.3 Å)