8UIA

Crystal structure of SARS CoV-2 3CL protease in complex with GSK4365097A

8UIA の概要

• エントリーDOI: 10.2210/pdb8uia/pdb
• 分子名称: 3C-like proteinase nsp5, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2R)-oxolan-2-yl]-3-[(3R)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: 3cl protease, sars, 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: 69122.19

構造登録者

Concha, N.O.,Williams, S.P. (登録日: 2023-10-10, 公開日: 2024-02-14)

• 主引用文献: Barton, L.S.,Callahan, J.F.,Cantizani, J.,Concha, N.O.,Cotillo Torrejon, I.,Goodwin, N.C.,Joshi-Pangu, A.,Kiesow, T.J.,McAtee, J.J.,Mellinger, M.,Nixon, C.J.,Padron-Barthe, L.,Patterson, J.R.,Pearson, N.D.,Pouliot, J.J.,Rendina, A.R.,Buitrago Santanilla, A.,Schneck, J.L.,Sanz, O.,Thalji, R.K.,Ward, P.,Williams, S.P.,King, B.W.; Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement.; Bioorg.Med.Chem., 100:117618-117618, 2024; PubMed: 38309201; DOI: 10.1016/j.bmc.2024.117618

実験手法

X-RAY DIFFRACTION (1.75 Å)