4KB9

Crystal structure of wild-type HIV-1 protease with novel tricyclic P2-ligands GRL-0739A

Summary for 4KB9

• Entry DOI: 10.2210/pdb4kb9/pdb
• Related: 2IEN 3OK9
• Descriptor: Protease, (3aR,3bR,4S,7aR,8aS)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, ... (7 entities in total)
• Functional Keywords: spartic acid protease, hiv-1 protease inhibitor grl-0739a, a novel tricyclic p2-ligand, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22553.33

Authors

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2013-04-23, release date: 2013-09-04, Last modification date: 2023-09-20)

• Primary citation: Ghosh, A.K.,Parham, G.L.,Martyr, C.D.,Nyalapatla, P.R.,Osswald, H.L.,Agniswamy, J.,Wang, Y.F.,Amano, M.,Weber, I.T.,Mitsuya, H.; Highly Potent HIV-1 Protease Inhibitors with Novel Tricyclic P2 Ligands: Design, Synthesis, and Protein-Ligand X-ray Studies.; J.Med.Chem., 56:6792-6802, 2013; PubMed: 23947685; DOI: 10.1021/jm400768f

Experimental method

X-RAY DIFFRACTION (1.29 Å)