1T7K

Crystal Structure of HIV Protease complexed with Arylsulfonamide azacyclic urea

1T7K の概要

• エントリーDOI: 10.2210/pdb1t7k/pdb
• 関連するPDBエントリー: 1MUI
• 分子名称: Pol polyprotein [Contains: Protease (Retropepsin)], 3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE (3 entities in total)
• 機能のキーワード: hiv protease, arylsulfonamide azacyclic urea, hydrolase
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22206.18

構造登録者

Huang, P.P.,Randolph, J.T.,Klein, L.L.,Vasavanonda, S.,Dekhtyar, T.,Stoll, V.S.,Kempf, D.J. (登録日: 2004-05-10, 公開日: 2004-10-05, 最終更新日: 2024-02-14)

主引用文献

Huang, P.P.,Randolph, J.T.,Klein, L.L.,Vasavanonda, S.,Dekhtyar, T.,Stoll, V.S.,Kempf, D.J.
Synthesis and Antiviral Activity of P1' Arylsulfonamide Azacyclic Urea HIV Protease Inhibitors
Bioorg.Med.Chem.Lett., 14:4075-4078, 2004

PubMed Abstract: A series of novel azacyclic urea HIV protease inhibitors bearing a benzenesulfonamide group at P1' were synthesized utilizing a parallel synthesis method. Structural studies of early analogs bound in the enzyme active site were used to design more potent inhibitors. The effects of substituting the P1' benzenesulfonyl group on antiviral activity and protein binding are described.

PubMed: 15225729
DOI: 10.1016/j.bmcl.2004.05.036

実験手法

X-RAY DIFFRACTION (2.1 Å)