5JFU

HIV-1 wild Type protease with GRL-007-14A (a Adamantane P1-Ligand with bis-THF in P2 and benzylamine in P1')

Summary for 5JFU

• Entry DOI: 10.2210/pdb5jfu/pdb
• Related: 2IEN 5JFP 5JG1
• Descriptor: Protease, CHLORIDE ION, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-{benzyl[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate, ... (4 entities in total)
• Functional Keywords: adamantane, hiv-1 protease inhibitor grl-007-14a, darunavir, multidrug-resistant, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22207.07

Authors

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2016-04-19, release date: 2016-09-21, Last modification date: 2023-09-27)

• Primary citation: Ghosh, A.K.,Osswald, H.L.,Glauninger, K.,Agniswamy, J.,Wang, Y.F.,Hayashi, H.,Aoki, M.,Weber, I.T.,Mitsuya, H.; Probing Lipophilic Adamantyl Group as the P1-Ligand for HIV-1 Protease Inhibitors: Design, Synthesis, Protein X-ray Structural Studies, and Biological Evaluation.; J.Med.Chem., 59:6826-6837, 2016; PubMed: 27389367; DOI: 10.1021/acs.jmedchem.6b00639

Experimental method

X-RAY DIFFRACTION (1.7 Å)