7QKA

Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376

7QKA の概要

• エントリーDOI: 10.2210/pdb7qka/pdb
• 関連するBIRD辞書のPRD_ID: PRD_002495
• 分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ... (4 entities in total)
• 機能のキーワード: main protease, mpro, cystein protease, drug development, drug target, peptide-like inhibitor, sars-cov-2, covid-19, 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: 34465.43

構造登録者

Reinke, P.Y.A.,Falke, S.,Lieske, J.,Ewert, W.,Loboda, J.,Rahmani Mashhour, A.,Hauser, M.,Karnicar, K.,Usenik, A.,Lindic, N.,Lach, M.,Boehler, H.,Beck, T.,Cox, R.,Chapman, H.N.,Hinrichs, W.,Turk, D.,Guenther, S.,Meents, A. (登録日: 2021-12-17, 公開日: 2022-12-28, 最終更新日: 2024-01-31)

• 主引用文献: Reinke, P.Y.A.,de Souza, E.E.,Gunther, S.,Falke, S.,Lieske, J.,Ewert, W.,Loboda, J.,Herrmann, A.,Rahmani Mashhour, A.,Karnicar, K.,Usenik, A.,Lindic, N.,Sekirnik, A.,Botosso, V.F.,Santelli, G.M.M.,Kapronezai, J.,de Araujo, M.V.,Silva-Pereira, T.T.,Filho, A.F.S.,Tavares, M.S.,Florez-Alvarez, L.,de Oliveira, D.B.L.,Durigon, E.L.,Giaretta, P.R.,Heinemann, M.B.,Hauser, M.,Seychell, B.,Bohler, H.,Rut, W.,Drag, M.,Beck, T.,Cox, R.,Chapman, H.N.,Betzel, C.,Brehm, W.,Hinrichs, W.,Ebert, G.,Latham, S.L.,Guimaraes, A.M.S.,Turk, D.,Wrenger, C.,Meents, A.; Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.; Commun Biol, 6:1058-1058, 2023; PubMed: 37853179; DOI: 10.1038/s42003-023-05317-9

実験手法

X-RAY DIFFRACTION (1.8 Å)