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Structure paper

TitleTargeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies.
Journal, issue, pagesAcs Chem. Biol., Vol. 6, Page 1339-, Year 2011
Publish dateNov 8, 2010 (structure data deposition date)
AuthorsDay, J.E. / Sharp, S.Y. / Rowlands, M.G. / Aherne, W. / Hayes, A. / Raynaud, F.I. / Lewis, W. / Roe, S.M. / Prodromou, C. / Pearl, L.H. ...Day, J.E. / Sharp, S.Y. / Rowlands, M.G. / Aherne, W. / Hayes, A. / Raynaud, F.I. / Lewis, W. / Roe, S.M. / Prodromou, C. / Pearl, L.H. / Workman, P. / Moody, C.J.
External linksAcs Chem. Biol. / PubMed:21932796
MethodsX-ray diffraction
Resolution1.85 - 2.199 Å
Structure data

PDB-2xx2:
Macrolactone Inhibitor bound to HSP90 N-term
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-2xx4:
Macrolactone Inhibitor bound to HSP90 N-term
Method: X-RAY DIFFRACTION / Resolution: 2.199 Å

PDB-2xx5:
Macrolactone Inhibitor bound to HSP90 N-term
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-13C:
(5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-13I:
(E)-ETHYL 13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDROBENZO[C][1]AZACYCLOTETRADECINE-10-CARBOXYLATE

ChemComp-13N:
(5E,10R)-N-BENZYL-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDRO-2-BENZAZACYCLOTETRADECINE-10-CARBOXAMIDE

Source
  • saccharomyces cerevisiae (brewer's yeast)
KeywordsCHAPERONE

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