5AH8

Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II)

Summary for 5AH8

• Entry DOI: 10.2210/pdb5ah8/pdb
• Related: 5AGZ 5AH6 5AH7 5AH9 5AHA 5AHB 5AHC
• Descriptor: PROTEASE, CHLORIDE ION, (3R,3aS,4R,6aR)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, ... (4 entities in total)
• Functional Keywords: hydrolase, rational drug design, bis-thf bis-diol
• Biological source: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (Z2/CDC-Z34 ISOLATE)
• Cellular location: Gag-Pol polyprotein: Host cell membrane; Lipid-anchor. Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P03366
• Total number of polymer chains: 2
• Total formula weight: 22372.43

Authors

Hohlfeld, K.,Wegner, J.K.,Kesteleyn, B.,Linclau, B.,Unge, J. (deposition date: 2015-02-05, release date: 2015-05-06, Last modification date: 2018-01-17)

• Primary citation: Hohlfeld, K.,Wegner, J.,Kesteleyn, B.,Linclau, B.,Unge, J.; Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).; J.Med.Chem., 58:4029-, 2015; PubMed: 25897791; DOI: 10.1021/ACS.JMEDCHEM.5B00358

Experimental method

X-RAY DIFFRACTION (1.26 Å)