7KQJ

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

Summary for 7KQJ

• Entry DOI: 10.2210/pdb7kqj/pdb
• Descriptor: Nuclear receptor ROR-gamma, N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide (3 entities in total)
• Functional Keywords: rorgt, nuclear hormone receptor, ligand-binding domain, transcription, transcription-agonist complex, transcription/agonist
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 33486.46

Authors

Sack, J.S. (deposition date: 2020-11-16, release date: 2021-02-24, Last modification date: 2023-10-18)

• Primary citation: Yang, M.G.,Beaudoin-Bertrand, M.,Xiao, Z.,Marcoux, D.,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.,Karmakar, A.,Basha, M.,Babu, V.,Gupta, A.K.,Mathur, A.,Salter-Cid, L.,Denton, R.,Zhao, Q.,Dhar, T.G.M.; Tricyclic-Carbocyclic ROR gamma t Inverse Agonists-Discovery of BMS-986313.; J.Med.Chem., 64:2714-2724, 2021; PubMed: 33591748; DOI: 10.1021/acs.jmedchem.0c01992

Experimental method

X-RAY DIFFRACTION (2.645 Å)