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Structure paper

TitleConformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 6154-6160, Year 2011
Publish dateMay 5, 2011 (structure data deposition date)
AuthorsAkwabi-Ameyaw, A. / Caravella, J.A. / Chen, L. / Creech, K.L. / Deaton, D.N. / Madauss, K.P. / Marr, H.B. / Miller, A.B. / Navas, F. / Parks, D.J. ...Akwabi-Ameyaw, A. / Caravella, J.A. / Chen, L. / Creech, K.L. / Deaton, D.N. / Madauss, K.P. / Marr, H.B. / Miller, A.B. / Navas, F. / Parks, D.J. / Spearing, P.K. / Todd, D. / Williams, S.P. / Wisely, G.B.
External linksBioorg. Med. Chem. Lett. / PubMed:21890356
MethodsX-ray diffraction
Resolution2.502 - 3.1 Å
Structure data

PDB-3rut:
FXR with SRC1 and GSK359
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-3ruu:
FXR with SRC1 and GSK237
Method: X-RAY DIFFRACTION / Resolution: 2.502 Å

PDB-3rvf:
FXR with SRC1 and GSK2034
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-59G:
6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1-benzothiophene-3-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-37G:
6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid

ChemComp-034:
5-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION REGULATOR / nuclear receptor / alpha-helical sandwich / transcription factor / RXR / transcription co-factors / bile acid / farnesoid

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