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Structure paper

TitleHIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 607-, Year 2010
Publish dateJun 19, 2009 (structure data deposition date)
AuthorsMahalingam, A.K. / Axelsson, L. / Ekegren, J.K. / Wannberg, J. / Kihlstr, J. / Unge, T. / Wallberg, H. / Samuelsson, B. / Larhed, M. / Hallberg, A.
External linksJ. Med. Chem. / PubMed:19961222
MethodsX-ray diffraction
Resolution1.7 - 1.9 Å
Structure data

PDB-2wkz:
HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-2wl0:
HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-5AH:
METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus type 1 (z2/cdc-z34 isolate)
KeywordsHYDROLASE / TRANSITION-STATE MIMIC / INHIBITOR

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