8E61
Crystal structure of SARS-CoV-2 3CL protease in complex with a m-chlorophenyl dimethyl sulfane inhibitor
8E61 の概要
エントリーDOI | 10.2210/pdb8e61/pdb |
分子名称 | 3C-like proteinase, CHLORIDE ION, (1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ... (5 entities in total) |
機能のキーワード | hydrolase, viral protein-inhibitor complex, viral protein/inhibitor |
由来する生物種 | Severe acute respiratory syndrome coronavirus 2 |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 70549.63 |
構造登録者 | Lovell, S.,Liu, L.,Battaile, K.P.,Madden, T.K.,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 (1.85 Å) |
構造検証レポート
検証レポート(詳細版)をダウンロード