7KXF

CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL

Summary for 7KXF

• Entry DOI: 10.2210/pdb7kxf/pdb
• Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera, N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide (3 entities in total)
• Functional Keywords: rorgt, nuclear hormone receptor, ligand-binding domain, inverse agonist, transferase-agonist complex, transferase/agonist
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 1
• Total formula weight: 33417.39

Authors

Sack, J. (deposition date: 2020-12-03, release date: 2021-01-20, Last modification date: 2023-10-18)

• Primary citation: Ruan, Z.,Park, P.K.,Wei, D.,Purandare, A.,Wan, H.,O'Malley, D.,Stachura, S.,Perez, H.,Cavallaro, C.L.,Weigelt, C.A.,Sack, J.S.,Ruzanov, M.,Khan, J.,Gururajan, M.,Wong, J.J.,Huang, Y.,Yarde, M.,Li, Z.,Chen, C.,Sun, H.,Borowski, V.,Xie, J.H.,Anthony, M.,Agler, M.,Fink, B.E.,Harikrishnan, L.S.; Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.; Bioorg.Med.Chem.Lett., 35:127778-127778, 2021; PubMed: 33422603; DOI: 10.1016/j.bmcl.2021.127778

Experimental method

X-RAY DIFFRACTION (2.141 Å)