6E9A

HIV-1 WILD TYPE PROTEASE WITH GRL-034-17A, (3aS, 5R, 6aR)-2-OXOHEXAHYD CYCLOPENTA[D]-5-OXAZOLYL URETHANE WITH A BICYCLIC OXAZOLIDINONE SCAFF AS THE P2 LIGAND

6E9A の概要

• エントリーDOI: 10.2210/pdb6e9a/pdb
• 関連するPDBエントリー: 2IEN 6E7J
• 分子名称: Protease, SODIUM ION, CHLORIDE ION, ... (6 entities in total)
• 機能のキーワード: antiviral, hiv-1 protease inhibitor of grl-034-17a, p2 ligand, multidrug-resistant, oxazolidinone, viral protein, hydrolase-hydrolase inhibitor complex, hydrolase, 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: 22219.94

構造登録者

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (登録日: 2018-07-31, 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 (1.22 Å)