6E7J

HIV-1 wild type protease with GRL-042-17A, 3-phenylhexahydro-2h-cyclopenta[d]oxazol-2-one with a bicyclic oxazolidinone scaffold as the P2 ligand

Summary for 6E7J

Entry DOI	10.2210/pdb6e7j/pdb
Related	2IEN 6E9A
Descriptor	Protease, (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, SODIUM ION, ... (5 entities in total)
Functional Keywords	antiviral, hiv-1 protease inhibitor of grl-042-17a, p2 ligand, multidrug-resistant, oxazolidinone, viral protein, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	2
Total formula weight	22320.92
Authors	Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2018-07-26, release date: 2018-11-07, Last modification date: 2023-10-11)
Primary citation	Ghosh, A.K.,Williams, J.N.,Ho, R.Y.,Simpson, H.M.,Hattori, S.I.,Hayashi, H.,Agniswamy, J.,Wang, Y.F.,Weber, I.T.,Mitsuya, H. Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J. Med. Chem., 61:9722-9737, 2018 Cited by PubMed: 30354121 DOI: 10.1021/acs.jmedchem.8b01227 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.3 Å)

Structure validation