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Structure paper

TitleDiscovery of a new binding mode for a series of liver X receptor agonists.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 2407-2410, Year 2012
Publish dateFeb 3, 2012 (structure data deposition date)
AuthorsKopecky, D.J. / Jiao, X.Y. / Fisher, B. / McKendry, S. / Labelle, M. / Piper, D.E. / Coward, P. / Shiau, A.K. / Escaron, P. / Danao, J. ...Kopecky, D.J. / Jiao, X.Y. / Fisher, B. / McKendry, S. / Labelle, M. / Piper, D.E. / Coward, P. / Shiau, A.K. / Escaron, P. / Danao, J. / Chai, A. / Jaen, J. / Kayser, F.
External linksBioorg. Med. Chem. Lett. / PubMed:22406115
MethodsX-ray diffraction
Resolution2.45 - 2.75 Å
Structure data

PDB-4dk7:
Crystal structure of LXR ligand binding domain in complex with full agonist 1
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-4dk8:
Crystal structure of LXR ligand binding domain in complex with partial agonist 5
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

Chemicals

ChemComp-0KS:
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide

ChemComp-ACT:
ACETATE ION

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-0KT:
N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION/Peptide/Agonist / ligand binding domain / nuclear hormone receptor / TRANSCRIPTION-Peptide-Agonist complex

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