4A4Q

Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors

Summary for 4A4Q

Entry DOI	10.2210/pdb4a4q/pdb
Related	1GNO 1WBK 1WBM 1ZPA 2CEJ 2CEM
Descriptor	PROTEASE, methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate (3 entities in total)
Functional Keywords	hydrolase, gamma-butyrol-lactam, inhibitor
Biological source	HUMAN IMMUNODEFICIENCY VIRUS (HIV-1)
Total number of polymer chains	2
Total formula weight	22271.19
Authors	Wu, X.,Ohrngren, P.,Joshi, A.A.,Trejos, A.,Persson, M.,Arvela, R.K.,Wallberg, H.,Vrang, L.,Rosenquist, A.,Samuelsson, B.,Unge, J.,Larhed, M. (deposition date: 2011-10-19, release date: 2012-11-07, Last modification date: 2018-01-17)
Primary citation	Wu, X.,Ohrngren, P.,Joshi, A.A.,Trejos, A.,Persson, M.,Arvela, R.K.,Wallberg, H.,Vrang, L.,Rosenquist, A.,Samuelsson, B.B.,Unge, J.,Larhed, M. Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors. J.Med.Chem., 55:2724-, 2012 Cited by PubMed: 22376008 DOI: 10.1021/JM201620T PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation