6P9F

Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor

Summary for 6P9F

• Entry DOI: 10.2210/pdb6p9f/pdb
• Descriptor: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera, trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid (3 entities in total)
• Functional Keywords: rorgt, nuclear hormone receptor, ligand-binding domain, inve agonist, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 67028.93

Authors

Sack, J. (deposition date: 2019-06-10, release date: 2019-07-17, Last modification date: 2023-10-11)

• Primary citation: Lu, Z.,Duan, J.J.,Xiao, H.,Neels, J.,Wu, D.R.,Weigelt, C.A.,Sack, J.S.,Khan, J.,Ruzanov, M.,An, Y.,Yarde, M.,Karmakar, A.,Vishwakrishnan, S.,Baratam, V.,Shankarappa, H.,Vanteru, S.,Babu, V.,Basha, M.,Kumar Gupta, A.,Kumaravel, S.,Mathur, A.,Zhao, Q.,Salter-Cid, L.M.,Carter, P.H.,Murali Dhar, T.G.; Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as ROR gamma t inverse agonists.; Bioorg.Med.Chem.Lett., 29:2265-2269, 2019; PubMed: 31257087; DOI: 10.1016/j.bmcl.2019.06.036

Experimental method

X-RAY DIFFRACTION (2.8 Å)