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: 30354121DOI: 10.1021/acs.jmedchem.8b01227 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.3 Å) |
Structure validation
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