5BS4

HIV-1 wild Type protease with GRL-047-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, 4-amino sulfonamide derivative)

Summary for 5BS4

• Entry DOI: 10.2210/pdb5bs4/pdb
• Related: 2IEN 3QAA 5BRY
• Descriptor: Protease, (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[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: 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: 22329.09

Authors

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2015-06-01, release date: 2015-09-09, Last modification date: 2023-09-27)

• Primary citation: Ghosh, A.K.,Martyr, C.D.,Osswald, H.L.,Sheri, V.R.,Kassekert, L.A.,Chen, S.,Agniswamy, J.,Wang, Y.F.,Hayashi, H.,Aoki, M.,Weber, I.T.,Mitsuya, H.; Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies.; J.Med.Chem., 58:6994-7006, 2015; PubMed: 26306007; DOI: 10.1021/acs.jmedchem.5b00900

Experimental method

X-RAY DIFFRACTION (1.29 Å)