8E6C
Crystal structure of MERS 3CL protease in complex with a m-fluorophenyl dimethyl sulfane inhibitor
8E6C の概要
エントリーDOI | 10.2210/pdb8e6c/pdb |
分子名称 | Orf1a protein, [2-(3-fluorophenyl)sulfanyl-2-methyl-propyl] ~{N}-[(2~{S})-1-[[3-[(3~{S})-2-$l^{3}-oxidanylidenepyrrolidin-3-yl]-1-$l^{1}-oxidanylsulfonyl-1-oxidanyl-propan-2-yl]-$l^{2}-azanyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate (3 entities in total) |
機能のキーワード | protease, protease inhhibitors, hydrolase, viral protein-inhibitor complex, viral protein/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 | 34891.93 |
構造登録者 | Liu, L.,Lovell, S.,Battaile, K.P.,Dampalla, C.S.,Groutas, W.C. (登録日: 2022-08-22, 公開日: 2022-09-07, 最終更新日: 2024-05-01) |
主引用文献 | Dampalla, C.S.,Miller, M.J.,Kim, Y.,Zabiegala, A.,Nguyen, H.N.,Madden, T.K.,Thurman, H.A.,Machen, A.J.,Cooper, A.,Liu, L.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C. Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254:115376-115376, 2023 Cited by PubMed: 37080108DOI: 10.1016/j.ejmech.2023.115376 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.7 Å) |
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