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Structure paper

TitleConformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 4339-4343, Year 2008
Publish dateJun 4, 2008 (structure data deposition date)
AuthorsAkwabi-Ameyaw, A. / Bass, J.Y. / Caldwell, R.D. / Caravella, J.A. / Chen, L. / Creech, K.L. / Deaton, D.N. / Jones, S.A. / Kaldor, I. / Liu, Y. ...Akwabi-Ameyaw, A. / Bass, J.Y. / Caldwell, R.D. / Caravella, J.A. / Chen, L. / Creech, K.L. / Deaton, D.N. / Jones, S.A. / Kaldor, I. / Liu, Y. / Madauss, K.P. / Marr, H.B. / McFadyen, R.B. / Miller, A.B. / III, F.N. / Parks, D.J. / Spearing, P.K. / Todd, D. / Williams, S.P. / Wisely, G.B.
External linksBioorg. Med. Chem. Lett. / PubMed:18621523
MethodsX-ray diffraction
Resolution2.5 - 2.95 Å
Structure data

PDB-3dct:
FXR with SRC1 and GW4064
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3dcu:
FXR with SRC1 and GSK8062
Method: X-RAY DIFFRACTION / Resolution: 2.95 Å

Chemicals

ChemComp-064:
3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid

ChemComp-HOH:
WATER

ChemComp-O62:
6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION/TRANSCRIPTION ACTIVATOR / FXR / nuclear receptor / GW4064 / alpha-helical sandwich / Activator / Alternative splicing / DNA-binding / Metal-binding / Nucleus / Receptor / Repressor / Transcription regulation / Zinc / Zinc-finger / Acyltransferase / Chromosomal rearrangement / Phosphoprotein / Polymorphism / Proto-oncogene / Transferase / Ubl conjugation / TRANSCRIPTION-TRANSCRIPTION ACTIVATOR COMPLEX

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