4DFG

Crystal Structure of Wild-type HIV-1 Protease with Cyclopentyltetrahydro- furanyl Urethanes as P2-ligand, GRL-0249A

4DFG の概要

• エントリーDOI: 10.2210/pdb4dfg/pdb
• 関連するPDBエントリー: 2HB3 2IEN 2Z4O 3DJK 3DK1 3H5B 3I6O 3OK9 3ST5
• 分子名称: Protease, SODIUM ION, CHLORIDE ION, ... (5 entities in total)
• 機能のキーワード: aspartic acid protease, hiv-1 protease inhibitor grl-0249a, cyclopentyltetrahydro- furanyl urethanes p2-ligands, wild-type hiv-1 protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Human immunodeficiency virus type 1 (HIV-1)
• 細胞内の位置: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P03367
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22302.90

構造登録者

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (登録日: 2012-01-23, 公開日: 2012-03-21, 最終更新日: 2023-09-13)

• 主引用文献: Ghosh, A.K.,Chapsal, B.D.,Steffey, M.,Agniswamy, J.,Wang, Y.F.,Amano, M.,Weber, I.T.,Mitsuya, H.; Substituent effects on P2-cyclopentyltetrahydrofuranyl urethanes: Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors.; Bioorg.Med.Chem.Lett., 22:2308-2311, 2012; PubMed: 22364812; DOI: 10.1016/j.bmcl.2012.01.061

実験手法

X-RAY DIFFRACTION (1.23 Å)