6B4N

a hydroxymethyl functionality at the 4-position of the 2-phenyloxazole moiety of HIV-1 protease inhibitors involving the P2' ligands

6B4N の概要

• エントリーDOI: 10.2210/pdb6b4n/pdb
• 関連するPDBエントリー: 2IEN
• 分子名称: Protease, methyl 2-{4-[{(2R,3S)-3-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-1,3-oxazole-4-carboxylate, SODIUM ION, ... (5 entities in total)
• 機能のキーワード: hiv protease, the 2-phenyloxazole moiety inhibitor, p2' ligands, drug resistance, hydrolase, antiviral protein, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 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: 22326.88

構造登録者

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (登録日: 2017-09-27, 公開日: 2017-11-22, 最終更新日: 2023-10-04)

• 主引用文献: Ghosh, A.K.,Fyvie, W.S.,Brindisi, M.,Steffey, M.,Agniswamy, J.,Wang, Y.F.,Aoki, M.,Amano, M.,Weber, I.T.,Mitsuya, H.; Design, Synthesis, Biological Evaluation, and X-ray Studies of HIV-1 Protease Inhibitors with Modified P2' Ligands of Darunavir.; ChemMedChem, 12:1942-1952, 2017; PubMed: 29110408; DOI: 10.1002/cmdc.201700614

実験手法

X-RAY DIFFRACTION (1.3 Å)