7JYM

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC SULFONE INVERSE AGONIST

Summary for 7JYM

Entry DOI	10.2210/pdb7jym/pdb
Descriptor	Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1, (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one (3 entities in total)
Functional Keywords	rorgt, nuclear hormone receptor, ligand-binding domain, inverse agonist, dna binding protein-agonist complex, dna binding protein/agonist
Biological source	Homo sapiens (Human) More
Total number of polymer chains	1
Total formula weight	33587.53
Authors	Sack, J. (deposition date: 2020-08-31, release date: 2020-11-25, Last modification date: 2023-10-18)
Primary citation	Liu, Q.,Batt, D.G.,Weigelt, C.A.,Yip, S.,Wu, D.R.,Ruzanov, M.,Sack, J.S.,Wang, J.,Yarde, M.,Li, S.,Shuster, D.J.,Xie, J.H.,Sherry, T.,Obermeier, M.T.,Fura, A.,Stefanski, K.,Cornelius, G.,Khandelwal, P.,Tino, J.A.,Macor, J.E.,Salter-Cid, L.,Denton, R.,Zhao, Q.,Dhar, T.G.M. Novel Tricyclic Pyroglutamide Derivatives as Potent ROR gamma t Inverse Agonists Identified using a Virtual Screening Approach. Acs Med.Chem.Lett., 11:2510-2518, 2020 Cited by PubMed: 33335675 DOI: 10.1021/acsmedchemlett.0c00496 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.051 Å)

Structure validation