8Q71
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67
8Q71 の概要
エントリーDOI | 10.2210/pdb8q71/pdb |
分子名称 | 3C-like proteinase nsp5, (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide (3 entities in total) |
機能のキーワード | inhibitor, complex, non-covalent, twinning, viral protein |
由来する生物種 | Severe acute respiratory syndrome coronavirus |
タンパク質・核酸の鎖数 | 4 |
化学式量合計 | 137323.86 |
構造登録者 | Strater, N.,Muller, C.E.,Sylvester, K.,Weisse, R.H.,Useini, A.,Gao, S.,Song, L.,Liu, Z.,Zhan, P. (登録日: 2023-08-15, 公開日: 2023-12-06, 最終更新日: 2024-01-31) |
主引用文献 | Gao, S.,Song, L.,Sylvester, K.,Mercorelli, B.,Loregian, A.,Toth, K.,Weisse, R.H.,Useini, A.,Strater, N.,Yang, M.,Ye, B.,Tollefson, A.E.,Muller, C.E.,Liu, X.,Zhan, P. Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability. J.Med.Chem., 66:16426-16440, 2023 Cited by PubMed: 37992202DOI: 10.1021/acs.jmedchem.3c01876 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.322 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
![ダウンロード](/newweb/media/icons/dl.png)