6XFV

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A NOVEL INVERSE AGONIST

Summary for 6XFV

Entry DOI	10.2210/pdb6xfv/pdb
Descriptor	Nuclear receptor ROR-gamma, 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one (3 entities in total)
Functional Keywords	rorgt, nuclear hormone receptor, ligand-binding domain, inverse agonist, transcription-agonist complex, transcription/agonist
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	62535.99
Authors	Sack, J.S. (deposition date: 2020-06-16, release date: 2020-08-12, Last modification date: 2023-10-18)
Primary citation	Jiang, B.,Duan, J.J.,Stachura, S.,Karmakar, A.,Hemagiri, H.,Raut, D.K.,Gupta, A.K.,Weigelt, C.A.,Khan, J.,Sack, J.S.,Wu, D.R.,Yarde, M.,Shen, D.R.,Galella, M.A.,Mathur, A.,Zhao, Q.,Salter-Cid, L.M.,Carter, P.H.,Dhar, T.G.M. Discovery of (3S,4S)-3-methyl-3-(4-fluorophenyl)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)phenyl)pyrrolidines as novel ROR gamma t inverse agonists. Bioorg.Med.Chem.Lett., 30:127392-127392, 2020 Cited by PubMed: 32738966 DOI: 10.1016/j.bmcl.2020.127392 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.15 Å)

Structure validation