7KCO

ROR gamma in complex with SCR2 and compound 3

Summary for 7KCO

• Entry DOI: 10.2210/pdb7kco/pdb
• Descriptor: Nuclear receptor ROR-gamma, Peptide GLU-LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide, ... (5 entities in total)
• Functional Keywords: inhibitor, signaling protein
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 4
• Total formula weight: 62104.97

Authors

Durbin, J.D.,Guo, S.Y.,Stout, S.L.,Clawson, D.K. (deposition date: 2020-10-06, release date: 2021-04-21, Last modification date: 2024-04-03)

• Primary citation: Lugar, C.W.,Clarke, C.A.,Morphy, R.,Rudyk, H.,Sapmaz, S.,Stites, R.E.,Vaught, G.M.,Furness, K.,Broughton, H.B.,Durst, G.L.,Clawson, D.K.,Stout, S.L.,Guo, S.Y.,Durbin, J.D.,Stayrook, K.R.,Edmondson, D.D.,Kikly, K.,New, N.E.,Bina, H.A.,Chambers, M.G.,Shetler, P.,Chang, W.Y.,Chang, V.C.,Barr, R.,Gough, W.H.,Steele, J.P.,Getman, B.,Patel, N.,Mathes, B.M.,Richardson, T.I.; Defining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor C2 (ROR gamma t).; J.Med.Chem., 64:5470-5484, 2021; PubMed: 33852312; DOI: 10.1021/acs.jmedchem.0c01918

Experimental method

X-RAY DIFFRACTION (1.86 Å)