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Structure paper

TitleFrom ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
Journal, issue, pagesACS Med Chem Lett, Vol. 9, Page 120-124, Year 2018
Publish dateNov 1, 2017 (structure data deposition date)
AuthorsWang, Y. / Cai, W. / Tang, T. / Liu, Q. / Yang, T. / Yang, L. / Ma, Y. / Zhang, G. / Huang, Y. / Song, X. ...Wang, Y. / Cai, W. / Tang, T. / Liu, Q. / Yang, T. / Yang, L. / Ma, Y. / Zhang, G. / Huang, Y. / Song, X. / Orband-Miller, L.A. / Wu, Q. / Zhou, L. / Xiang, Z. / Xiang, J.N. / Leung, S. / Shao, L. / Lin, X. / Lobera, M. / Ren, F.
External linksACS Med Chem Lett / PubMed:29456799
MethodsX-ray diffraction
Resolution2.2 - 2.65 Å
Structure data

PDB-5yp5:
Crystal structure of RORgamma complexed with SRC2 and compound 5d
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-5yp6:
RORgamma (263-509) complexed with SRC2 and Compound 6
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-4CZ:
2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide

ChemComp-HOH:
WATER

ChemComp-4CX:
N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION/INHIBITOR / complex structure / Nuclear receptor ROR / transcription factor / TRANSCRIPTION-INHIBITOR complex

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