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TitleThe identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 15, Page 3338-3343, Year 2005
Publish dateMay 4, 2005 (structure data deposition date)
AuthorsCheung, K.M. / Matthews, T.P. / James, K. / Rowlands, M.G. / Boxall, K.J. / Sharp, S.Y. / Maloney, A. / Roe, S.M. / Prodromou, C. / Pearl, L.H. ...Cheung, K.M. / Matthews, T.P. / James, K. / Rowlands, M.G. / Boxall, K.J. / Sharp, S.Y. / Maloney, A. / Roe, S.M. / Prodromou, C. / Pearl, L.H. / Aherne, G.W. / McDonald, E. / Workman, P.
External linksBioorg. Med. Chem. Lett. / PubMed:15955698
MethodsX-ray diffraction
Resolution1.6 - 2 Å
Structure data

PDB-2brc:
Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90.
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-2bre:
STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90.
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-CT5:
4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL

ChemComp-HOH:
WATER

ChemComp-KJ2:
4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL

Source
  • saccharomyces cerevisiae (brewer's yeast)
KeywordsCHAPERONE / ATP-BINDING / HEAT SHOCK / INHIBITOR / MULTIGENE FAMILY / CHAPERONE-COMPLEX

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