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 Cited by PubMed: 25336073DOI: 10.1002/cmdc.201402358 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.3 Å) |
Structure validation
Download full validation report