1HPS

RATIONAL DESIGN, SYNTHESIS AND CRYSTALLOGRAPHIC ANALYSIS OF A HYDROXYETHYLENE-BASED HIV-1 PROTEASE INHIBITOR CONTAINING A HETEROCYCLIC P1'-P2' AMIDE BOND ISOSTERE

Summary for 1HPS

Entry DOI	10.2210/pdb1hps/pdb
Descriptor	HIV-1 PROTEASE, 2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE (3 entities in total)
Functional Keywords	hydrolase(acid proteinase)
Biological source	Human immunodeficiency virus 1
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	22885.10
Authors	Abdel-Meguid, S.,Zhao, B. (deposition date: 1994-05-24, release date: 1994-08-31, Last modification date: 2024-02-07)
Primary citation	Thompson, S.K.,Murthy, K.H.,Zhao, B.,Winborne, E.,Green, D.W.,Fisher, S.M.,DesJarlais, R.L.,Tomaszek Jr., T.A.,Meek, T.D.,Gleason, J.G.,Abdel-Meguid, S.S. Rational design, synthesis, and crystallographic analysis of a hydroxyethylene-based HIV-1 protease inhibitor containing a heterocyclic P1'--P2' amide bond isostere. J.Med.Chem., 37:3100-3107, 1994 Cited by PubMed: 7932533 DOI: 10.1021/jm00045a015 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation