5ULT

HIV-1 wild Type protease with GRL-100-13A (a Crown-like Oxotricyclic Core as the P2-Ligand with the sulfonamide isostere as the P2' group)

5ULT の概要

• エントリーDOI: 10.2210/pdb5ult/pdb
• 関連するPDBエントリー: 2IEN 5TYR 5UOV 5UPZ
• 分子名称: Protease, SODIUM ION, CHLORIDE ION, ... (5 entities in total)
• 機能のキーワード: crown-like oxotricyclic core, hiv-1 protease inhibitor grl-100-13a, darunavir, multidrug-resistant, hydrolase inhibitor complex, 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: 22163.96

構造登録者

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (登録日: 2017-01-25, 公開日: 2017-05-03, 最終更新日: 2023-10-04)

• 主引用文献: Ghosh, A.K.,Rao, K.V.,Nyalapatla, P.R.,Osswald, H.L.,Martyr, C.D.,Aoki, M.,Hayashi, H.,Agniswamy, J.,Wang, Y.F.,Bulut, H.,Das, D.,Weber, I.T.,Mitsuya, H.; Design and Development of Highly Potent HIV-1 Protease Inhibitors with a Crown-Like Oxotricyclic Core as the P2-Ligand To Combat Multidrug-Resistant HIV Variants.; J. Med. Chem., 60:4267-4278, 2017; PubMed: 28418652; DOI: 10.1021/acs.jmedchem.7b00172

実験手法

X-RAY DIFFRACTION (1.53 Å)