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Structure paper

TitleFXR agonist activity of conformationally constrained analogs of GW 4064.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 4733-4739, Year 2009
Publish dateMay 5, 2009 (structure data deposition date)
AuthorsAkwabi-Ameyaw, A. / Bass, J.Y. / Caldwell, R.D. / Caravella, J.A. / Chen, L. / Creech, K.L. / Deaton, D.N. / Madauss, K.P. / Marr, H.B. / McFadyen, R.B. ...Akwabi-Ameyaw, A. / Bass, J.Y. / Caldwell, R.D. / Caravella, J.A. / Chen, L. / Creech, K.L. / Deaton, D.N. / Madauss, K.P. / Marr, H.B. / McFadyen, R.B. / Miller, A.B. / Navas, F. / Parks, D.J. / Spearing, P.K. / Todd, D. / Williams, S.P. / Bruce Wisely, G.
External linksBioorg. Med. Chem. Lett. / PubMed:19586769
MethodsX-ray diffraction
Resolution2.6 - 3.2 Å
Structure data

PDB-3hc5:
FXR with SRC1 and GSK826
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-3hc6:
FXR with SRC1 and GSK088
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-82X:
3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-088:
3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / FXR / nuclear receptor / GW4064 / alpha-helical sandwich / Activator / Alternative splicing / DNA-binding / Metal-binding / Nucleus / Receptor / Repressor / Transcription regulation / Zinc / Zinc-finger

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