6VOE

HIV-1 wild type protease with GRL-019-17A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand and a aminobenzothiazole(Abt)-based P2'-ligand

6VOE の概要

• エントリーDOI: 10.2210/pdb6voe/pdb
• 関連するPDBエントリー: 2IEN 5ULT 6BZ2 6CDJ 6CDL 6VOD
• 分子名称: Protease, SODIUM ION, CHLORIDE ION, ... (6 entities in total)
• 機能のキーワード: inhibitors, antiviral, multidrug-resistant, chf-thf, backbone binding, antiviral protein
• 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: 22350.13

構造登録者

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (登録日: 2020-01-30, 公開日: 2020-05-13, 最終更新日: 2023-10-11)

• 主引用文献: Ghosh, A.K.,Kovela, S.,Osswald, H.L.,Amano, M.,Aoki, M.,Agniswamy, J.,Wang, Y.F.,Weber, I.T.,Mitsuya, H.; Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies.; J.Med.Chem., 63:4867-4879, 2020; PubMed: 32348139; DOI: 10.1021/acs.jmedchem.0c00202

実験手法

X-RAY DIFFRACTION (1.3 Å)