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Structure paper

TitleCorrelation between chemotype-dependent binding conformations of HSP90 alpha / beta and isoform selectivity-Implications for the structure-based design of HSP90 alpha / beta selective inhibitors for treating neurodegenerative diseases.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 24, Page 204-208, Year 2014
Publish dateNov 4, 2013 (structure data deposition date)
AuthorsErnst, J.T. / Liu, M. / Zuccola, H. / Neubert, T. / Beaumont, K. / Turnbull, A. / Kallel, A. / Vought, B. / Stamos, D.
External linksBioorg. Med. Chem. Lett. / PubMed:24332488
MethodsX-ray diffraction
Resolution1.65 - 2.77 Å
Structure data

PDB-4nh7:
Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-4nh8:
Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-4nh9:
Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity
Method: X-RAY DIFFRACTION / Resolution: 2.77 Å

Chemicals

ChemComp-E0G:
4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-2LC:
2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

Source
  • homo sapiens (human)
KeywordsCHAPERONE / a/b fold / a/b protein / a/b structure / endoplasmic reticulum

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