8DGY
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16d (high resolution)
8DGY の概要
エントリーDOI | 10.2210/pdb8dgy/pdb |
分子名称 | 3C-like proteinase, [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... (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 | 35407.64 |
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: 2022-06-24, 公開日: 2022-07-06, 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 Cited by PubMed: 36654747DOI: 10.1021/acsptsci.2c00206 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.65 Å) |
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