3ZPS

Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors

Summary for 3ZPS

• Entry DOI: 10.2210/pdb3zps/pdb
• Related: 3ZPT 3ZPU
• Descriptor: PROTEASE, CHLORIDE ION, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate, ... (4 entities in total)
• Functional Keywords: hydrolase, protease inhibitor, rational drug design
• 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: 22388.41

Authors

Joshi, A.,Veron, J.B.,Unge, J.,Rosenquist, A.,Wallberg, H.,Samuelsson, B.,Hallberg, A.,Larhed, M. (deposition date: 2013-03-01, release date: 2013-11-06, Last modification date: 2018-01-17)

• Primary citation: Joshi, A.,Veron, J.B.,Unge, J.,Rosenquist, A.,Wallberg, H.,Samuelsson, B.,Hallberg, A.,Larhed, M.; Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors.; J.Med.Chem., 56:8999-, 2013; PubMed: 24160253; DOI: 10.1021/JM400811D

Experimental method

X-RAY DIFFRACTION (1.55 Å)