2XCF
Crystal structure of HCV NS3 protease with a boronate inhibitor
2XCF の概要
エントリーDOI | 10.2210/pdb2xcf/pdb |
分子名称 | NS3 PROTEASE, NS4A, ZINC ION, ... (6 entities in total) |
機能のキーワード | protease, boronate inhibitor, viral reproduction, hydrolase |
由来する生物種 | HEPATITIS C VIRUS 詳細 |
タンパク質・核酸の鎖数 | 4 |
化学式量合計 | 47604.93 |
構造登録者 | Li, X.,Zhang, Y.-K.,Liu, Y.,Ding, C.Z.,Li, Q.,Zhou, Y.,Plattner, J.J.,Baker, S.J.,Qian, X.,Fan, D.,Liao, L.,Ni, Z.-J.,White, G.V.,Mordaunt, J.E.,Lazarides, L.X.,Slater, M.J.,Jarvest, R.L.,Thommes, P.,Ellis, M.,Edge, C.M.,Hubbard, J.A.,Nassau, P.,McDowell, B.,Skarzynski, T.J.,Rowland, P.,Somers, D.O.,Kazmierski, W.M.,Grimes, R.M.,Wright, L.L.,Smith, G.K.,Zou, W.,Wright, J.,Pennicott, L.E. (登録日: 2010-04-22, 公開日: 2010-06-02, 最終更新日: 2024-05-08) |
主引用文献 | Li, X.,Zhang, Y.-K.,Liu, Y.,Ding, C.Z.,Li, Q.,Zhou, Y.,Plattner, J.J.,Baker, S.J.,Qian, X.,Fan, D.,Liao, L.,Ni, Z.-J.,White, G.V.,Mordaunt, J.E.,Lazarides, L.X.,Slater, M.J.,Jarvest, R.L.,Edge, C.M.,Hubbard, J.A.,Nassau, P.,Mcdowell, B.,Skarzynski, T.J.,Thommes, P.,Ellis, M.,Rowland, P.,Somers, D.O.,Kazmierski, W.M.,Grimes, R.M.,Wright, L.L.,Smith, G.K.,Zou, W.,Wright, J.,Pennicott, L.E. Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20:3550-, 2010 Cited by PubMed Abstract: We have designed and synthesized a novel series of alpha-amino cyclic boronates and incorporated them successfully in several acyclic templates at the P1 position. These compounds are inhibitors of the HCV NS3 serine protease, and structural studies show that they inhibit the NS3 protease by trapping the Ser-139 hydroxyl group in the active site. Synthetic methodologies and SARs of this series of compounds are described. PubMed: 20493689DOI: 10.1016/J.BMCL.2010.04.129 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.48 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
