4U8W

HIV-1 wild Type protease with GRL-050-10A (a Gem-difluoro-bis-Tetrahydrofuran as P2-Ligand)

Summary for 4U8W

• Entry DOI: 10.2210/pdb4u8w/pdb
• Related: 2IEN 3OK9 3QAA
• Descriptor: HIV-1 Protease, (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, SODIUM ION, ... (6 entities in total)
• Functional Keywords: hiv-1 protease inhibitor, multidrug-resistant hiv-1 strains, blood-brain-barrier, fluoro-bis-thf, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus type 1 BH10 (HIV-1)
• Total number of polymer chains: 2
• Total formula weight: 22312.44

Authors

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2014-08-05, release date: 2014-11-05, Last modification date: 2023-09-27)

• Primary citation: Ghosh, A.K.,Yashchuk, S.,Mizuno, A.,Chakraborty, N.,Agniswamy, J.,Wang, Y.F.,Aoki, M.,Gomez, P.M.,Amano, M.,Weber, I.T.,Mitsuya, H.; Design of gem-Difluoro-bis-Tetrahydrofuran as P2 Ligand for HIV-1 Protease Inhibitors to Improve Brain Penetration: Synthesis, X-ray Studies, and Biological Evaluation.; Chemmedchem, 10:107-115, 2015; PubMed: 25336073; DOI: 10.1002/cmdc.201402358

Experimental method

X-RAY DIFFRACTION (1.3 Å)