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TitleLigand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor gamma t (ROR gamma t) Inverse Agonists.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 241-259, Year 2020
Publish dateJul 17, 2019 (structure data deposition date)
AuthorsMeijer, F.A. / Doveston, R.G. / de Vries, R.M.J.M. / Vos, G.M. / Vos, A.A.A. / Leysen, S. / Scheepstra, M. / Ottmann, C. / Milroy, L.G. / Brunsveld, L.
External linksJ. Med. Chem. / PubMed:31821760
MethodsX-ray diffraction
Resolution1.61 Å
Structure data

PDB-6sal:
ROR(gamma)t ligand binding domain in complex with allosteric ligand FM26
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

Chemicals

ChemComp-L3E:
4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsGENE REGULATION / Nuclear Receptor / Allosteric / Inverse Agonist / Inhibitor

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