6E7J

HIV-1 wild type protease with GRL-042-17A, 3-phenylhexahydro-2h-cyclopenta[d]oxazol-2-one with a bicyclic oxazolidinone scaffold as the P2 ligand

6E7J の概要

• エントリーDOI: 10.2210/pdb6e7j/pdb
• 関連するPDBエントリー: 2IEN 6E9A
• 分子名称: Protease, (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, SODIUM ION, ... (5 entities in total)
• 機能のキーワード: antiviral, hiv-1 protease inhibitor of grl-042-17a, p2 ligand, multidrug-resistant, oxazolidinone, viral 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: 22320.92

構造登録者

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (登録日: 2018-07-26, 公開日: 2018-11-07, 最終更新日: 2023-10-11)

• 主引用文献: Ghosh, A.K.,Williams, J.N.,Ho, R.Y.,Simpson, H.M.,Hattori, S.I.,Hayashi, H.,Agniswamy, J.,Wang, Y.F.,Weber, I.T.,Mitsuya, H.; Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies.; J. Med. Chem., 61:9722-9737, 2018; PubMed: 30354121; DOI: 10.1021/acs.jmedchem.8b01227

実験手法

X-RAY DIFFRACTION (1.3 Å)