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Structure paper

TitleStructural determinant for inducing RORgamma specific inverse agonism triggered by a synthetic benzoxazinone ligand.
Journal, issue, pagesBmc Struct. Biol., Vol. 16, Page 7-7, Year 2016
Publish dateMar 23, 2016 (structure data deposition date)
AuthorsMarcotte, D.J. / Liu, Y. / Little, K. / Jones, J.H. / Powell, N.A. / Wildes, C.P. / Silvian, L.F. / Chodaparambil, J.V.
External linksBmc Struct. Biol. / PubMed:27246200
MethodsX-ray diffraction
Resolution2.35 - 2.635 Å
Structure data

PDB-5ixk:
RORgamma in complex with inverse agonist BIO399.
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-5iz0:
RORgamma in complex with agonist BIO592 and Coactivator EBI96
Method: X-RAY DIFFRACTION / Resolution: 2.635 Å

Chemicals

ChemComp-6EW:
N-(5-ethyl-3,3-dimethyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide

ChemComp-HOH:
WATER

ChemComp-6F1:
N-(4-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-3,4-dimethyl-N-(2,2,2-trifluoroethyl)benzene-1-sulfonamide

ChemComp-CL:
Unknown entry

Source
  • homo sapiens (human)
KeywordsIMMUNE SYSTEM / RORgamma / Nuclear hormone receptor / Inverse agonist / AF2 helix / Agonist

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