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Structure paper

TitleMethyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.
Journal, issue, pagesBioorg. Med. Chem., Vol. 22, Page 178-185, Year 2014
Publish dateAug 13, 2013 (structure data deposition date)
AuthorsDesphande, A. / Xia, G. / Boerma, L.J. / Vines, K.K. / Atigadda, V.R. / Lobo-Ruppert, S. / Grubbs, C.J. / Moeinpour, F.L. / Smith, C.D. / Christov, K. ...Desphande, A. / Xia, G. / Boerma, L.J. / Vines, K.K. / Atigadda, V.R. / Lobo-Ruppert, S. / Grubbs, C.J. / Moeinpour, F.L. / Smith, C.D. / Christov, K. / Brouillette, W.J. / Muccio, D.D.
External linksBioorg. Med. Chem. / PubMed:24359708
MethodsX-ray diffraction
Resolution2.2 - 2.4 Å
Structure data

PDB-4m8e:
CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (S) 4-Methyl 9cUAB30 COACTIVATOR PEPTIDE GRIP-1
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4m8h:
CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (R)4-METHYL 9cUAB30 AND COACTIVATOR PEPTIDE GRIP-1
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-29V:
(3E,6Z,8E)-3,7-dimethyl-8-[(4S)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-3,6-dienoic acid

ChemComp-HOH:
WATER

ChemComp-R4M:
(2E,6Z,8E)-3,7-dimethyl-8-[(4R)-4-methyl-3,4-dihydronaphthalen-1(2H)-ylidene]octa-2,6-dienoic acid

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / ANTIPARALLEL SANDWICH / LIGAND BINDING / COACTIVATOR BINDING / DIMERIZATION / ACTIVATION FUNCTION / nuclear receptors / ligand binding domian / ligand binding pocket / coactivator binding site / cancer / 4-Methyl 9cUAB30 ((2E / 4E / 6Z / 8E)-8-[(4'S)methyl-3' / 4'-dihydro-1'(2'H)-naphthalen-1'-ylidene]-3 / 7-dimethyl-2 / 4 / 6-octatrienoic Acid) / ligand binding domain / (R)4-Methyl UAB30 [(2E / 8E)-8-[(4'R)methyl-3' / 6-octatrienoic Acid]

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