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2XCF

Crystal structure of HCV NS3 protease with a boronate inhibitor

2XCF の概要
エントリーDOI10.2210/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
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: 20493689
DOI: 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
Validation report summary of 2xcf
検証レポート(詳細版)ダウンロードをダウンロード

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件を2025-07-16に公開中

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