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Structure paper

TitleSynthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90.
Journal, issue, pagesNat Chem, Vol. 5, Page 307-314, Year 2013
Publish dateApr 30, 2012 (structure data deposition date)
AuthorsKitson, R.R. / Chang, C.H. / Xiong, R. / Williams, H.E. / Davis, A.L. / Lewis, W. / Dehn, D.L. / Siegel, D. / Roe, S.M. / Prodromou, C. ...Kitson, R.R. / Chang, C.H. / Xiong, R. / Williams, H.E. / Davis, A.L. / Lewis, W. / Dehn, D.L. / Siegel, D. / Roe, S.M. / Prodromou, C. / Ross, D. / Moody, C.J.
External linksNat Chem / PubMed:23511419
MethodsX-ray diffraction
Resolution2.2 - 3.08 Å
Structure data

PDB-4as9:
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Method: X-RAY DIFFRACTION / Resolution: 2.71 Å

PDB-4asa:
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-4asb:
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Method: X-RAY DIFFRACTION / Resolution: 3.08 Å

PDB-4asf:
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-4asg:
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-4QS:
[(3R,5S,6R,7R,10R,11S,12E)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate

ChemComp-HOH:
WATER

ChemComp-59C:
[(3R,5S,6R,7R,12E)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate

ChemComp-CL:
Unknown entry

ChemComp-8TO:
(4E,6E,8S,9R,10E,12R,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate

ChemComp-62U:
(8S,9R,13R,14S,16R)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate

ChemComp-NI:
NICKEL (II) ION

ChemComp-814:
[(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate

Source
  • saccharomyces cerevisiae (brewer's yeast)
KeywordsCHAPERONE / INHIBITIOR / ANSAMYCIN / INHIBITION

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