2UPJ

HIV-1 PROTEASE COMPLEX WITH U100313 ([3-[[3-[CYCLOPROPYL [4-HYDROXY-2OXO-6-[1-(PHENYLMETHYL)PROPYL]-2H-PYRAN-3-YL] METHYL]PHENYL]AMINO]-3-OXO-PROPYL]CARBAMIC ACID TERT-BUTYL ESTER)

Summary for 2UPJ

• Entry DOI: 10.2210/pdb2upj/pdb
• Descriptor: HIV-1 PROTEASE, [2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY-2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL-METHYL}-PHENYLCARBAMOYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER (3 entities in total)
• Functional Keywords: hydrolase (acid protease)
• Biological source: Human immunodeficiency virus 1
• Cellular location: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P03367
• Total number of polymer chains: 2
• Total formula weight: 22166.18

Authors

Watenpaugh, K.D.,Mulichak, A.M.,Janakiraman, M.N. (deposition date: 1996-03-04, release date: 1996-10-14, Last modification date: 2024-04-03)

• Primary citation: Thaisrivongs, S.,Watenpaugh, K.D.,Howe, W.J.,Tomich, P.K.,Dolak, L.A.,Chong, K.-T.,Tomich, C.-S.C.,Tomasselli, A.G.,Turner, S.R.,Strohbach, J.W.,Mulichak, A.M.,Janakiraman, M.N.,Moon, J.B.,Lynn, J.C.,Horng, M.-M.,Hinshaw, R.R.,Curry, K.A.,Rothrock, D.J.; Structure-based design of novel HIV protease inhibitors: carboxamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent nonpeptidic inhibitors.; J.Med.Chem., 38:3624-3637, 1995; PubMed: 7658450; DOI: 10.1021/jm00018a023

Experimental method

X-RAY DIFFRACTION (3 Å)