6U25

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

Summary for 6U25

• Entry DOI: 10.2210/pdb6u25/pdb
• Descriptor: NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(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]cyclohexane-1-carboxylic acid, GLYCEROL, ... (4 entities in total)
• Functional Keywords: rorgt, nuclear hormone receptor, ligand-binding domain, inverse agonist, transferase-transferase inhibitor complex, transferase, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 1
• Total formula weight: 33632.60

Authors

Sack, J. (deposition date: 2019-08-19, release date: 2019-11-06, Last modification date: 2023-10-11)

• Primary citation: Marcoux, D.,Duan, J.J.,Shi, Q.,Cherney, R.J.,Srivastava, A.S.,Cornelius, L.,Batt, D.G.,Liu, Q.,Beaudoin-Bertrand, M.,Weigelt, C.A.,Khandelwal, P.,Vishwakrishnan, S.,Selvakumar, K.,Karmakar, A.,Gupta, A.K.,Basha, M.,Ramlingam, S.,Manjunath, N.,Vanteru, S.,Karmakar, S.,Maddala, N.,Vetrichelvan, M.,Gupta, A.,Rampulla, R.A.,Mathur, A.,Yip, S.,Li, P.,Wu, D.R.,Khan, J.,Ruzanov, M.,Sack, J.S.,Wang, J.,Yarde, M.,Cvijic, M.E.,Li, S.,Shuster, D.J.,Borowski, V.,Xie, J.H.,McIntyre, K.W.,Obermeier, M.T.,Fura, A.,Stefanski, K.,Cornelius, G.,Hynes Jr., J.,Tino, J.A.,Macor, J.E.,Salter-Cid, L.,Denton, R.,Zhao, Q.,Carter, P.H.,Dhar, T.G.M.; Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.; J.Med.Chem., 62:9931-9946, 2019; PubMed: 31638797; DOI: 10.1021/acs.jmedchem.9b01369

Experimental method

X-RAY DIFFRACTION (2.61 Å)