5JG1

HIV-1 wild Type protease with GRL-031-14A (a Adamantane P1-Ligand with tetrahydropyrano-tetrahydrofuran in P2 and isobutylamine in P1')

Summary for 5JG1

Entry DOI	10.2210/pdb5jg1/pdb
Related	2IEN 5JFP 5JFU
Descriptor	Protease, SODIUM ION, CHLORIDE ION, ... (6 entities in total)
Functional Keywords	adamantane, hiv-1 protease inhibitor grl-031-14a, 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	22348.15
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 Cited by PubMed: 27389367 DOI: 10.1021/acs.jmedchem.6b00639 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.16 Å)

Structure validation