7TQ7

Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c

7TQ7 の概要

• エントリーDOI: 10.2210/pdb7tq7/pdb
• 分子名称: Orf1a protein, N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, TETRAETHYLENE GLYCOL, ... (4 entities in total)
• 機能のキーワード: protease, severe acute respiratory syndrome coronavirus 2, mers 3cl protease inhhibitors, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Middle East respiratory syndrome-related coronavirus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34917.99

構造登録者

Lovell, S.,Liu, L.,Battaile, K.P.,Nguyen, H.N.,Chamandi, S.D.,Picard, H.R.,Madden, T.K.,Thruman, H.A.,Kim, Y.,Groutas, W.C.,Chang, K.O. (登録日: 2022-01-26, 公開日: 2022-02-09, 最終更新日: 2023-10-25)

• 主引用文献: Dampalla, C.S.,Nguyen, H.N.,Rathnayake, A.D.,Kim, Y.,Perera, K.D.,Madden, T.K.,Thurman, H.A.,Machen, A.J.,Kashipathy, M.M.,Liu, L.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.; Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.; Acs Pharmacol Transl Sci, 6:181-194, 2023; PubMed: 36654747; DOI: 10.1021/acsptsci.2c00206

実験手法

X-RAY DIFFRACTION (1.7 Å)