8CZT

Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 15d

8CZT の概要

• エントリーDOI: 10.2210/pdb8czt/pdb
• 分子名称: 3C-like proteinase, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate (3 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: 34846.91

構造登録者

Liu, L.,Lovell, S.,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: 2022-05-25, 公開日: 2022-06-22, 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 (2.1 Å)