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5UOV

HIV-1 wild Type protease with GRL-1118A , an isophthalamide-derived P2-P3 ligand with the sulfonamide isostere as the P2' group

Summary for 5UOV
Entry DOI10.2210/pdb5uov/pdb
Related5ULT 5UPZ
DescriptorProtease, N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide, SODIUM ION, ... (7 entities in total)
Functional Keywordsan isophthalamide-derived p2-p3 ligand, hiv-1 protease inhibitor grl-1118a, darunavir, multidrug-resistant, hydrolase inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHuman immunodeficiency virus 1
Total number of polymer chains2
Total formula weight22466.74
Authors
Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2017-02-01, release date: 2017-05-10, Last modification date: 2023-10-04)
Primary citationGhosh, A.K.,Brindisi, M.,Nyalapatla, P.R.,Takayama, J.,Ella-Menye, J.R.,Yashchuk, S.,Agniswamy, J.,Wang, Y.F.,Aoki, M.,Amano, M.,Weber, I.T.,Mitsuya, H.
Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex.
Bioorg. Med. Chem., 25:5114-5127, 2017
Cited by
PubMed: 28434781
DOI: 10.1016/j.bmc.2017.04.005
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.33 Å)
Structure validation

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