7NEC

ROR(gamma)t ligand binding domain in complex with allosteric ligand FM217

Summary for 7NEC

Entry DOI	10.2210/pdb7nec/pdb
Descriptor	Nuclear receptor ROR-gamma, 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid (3 entities in total)
Functional Keywords	nuclear receptor, retinoic acid receptor-related orphan receptor gamma t, inverse agonist, nuclear protein
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	29219.10
Authors	Somsen, B.A.,de Vries, R.M.J.M.,Meijer, F.A.,Brunsveld, L. (deposition date: 2021-02-03, release date: 2021-06-02, Last modification date: 2024-01-31)
Primary citation	Meijer, F.A.,Saris, A.O.W.M.,Doveston, R.G.,Oerlemans, G.J.M.,de Vries, R.M.J.M.,Somsen, B.A.,Unger, A.,Klebl, B.,Ottmann, C.,Cossar, P.J.,Brunsveld, L. Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t. J.Med.Chem., 64:9238-9258, 2021 Cited by PubMed: 34008974 DOI: 10.1021/acs.jmedchem.1c00475 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation