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TitleDesign, Synthesis, and X-ray Crystallographic Analysis of a Novel Class of HIV-1 Protease Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 7176-7183, Year 2011
Publish dateAug 18, 2011 (structure data deposition date)
AuthorsGanguly, A.K. / Alluri, S.S. / Caroccia, D. / Biswas, D. / Wang, C.H. / Kang, E. / Zhang, Y. / McPhail, A.T. / Carroll, S.S. / Burlein, C. ...Ganguly, A.K. / Alluri, S.S. / Caroccia, D. / Biswas, D. / Wang, C.H. / Kang, E. / Zhang, Y. / McPhail, A.T. / Carroll, S.S. / Burlein, C. / Munshi, V. / Orth, P. / Strickland, C.
External linksJ. Med. Chem. / PubMed:21916489
MethodsX-ray diffraction
Resolution1.34 Å
Structure data

PDB-3th9:
Crystal Structure of HIV-1 Protease Mutant Q7K V32I L63I with a cyclic sulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.34 Å

Chemicals

ChemComp-9Y9:
tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1 lw12.3 isolate
KeywordsHYDROLASE/HYDROLASE INHIBITOR / enzyme inhibition / aspartic protease / HIV/AIDS / conformational change / Amprenavir / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex

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