7TRB

CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE

Summary for 7TRB

Entry DOI	10.2210/pdb7trb/pdb
Descriptor	Bile acid receptor, co-activator, (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, ... (4 entities in total)
Functional Keywords	nhr, fxr, nuclear protein
Biological source	Homo sapiens (human) More
Total number of polymer chains	4
Total formula weight	63262.38
Authors	Khan, J.A.,Ruzanov, M. (deposition date: 2022-01-28, release date: 2022-06-29, Last modification date: 2023-10-18)
Primary citation	Nara, S.J.,Jogi, S.,Cheruku, S.,Kandhasamy, S.,Jaipuri, F.,Kathi, P.K.,Reddy, S.,Sarodaya, S.,Cook, E.M.,Wang, T.,Sitkoff, D.,Rossi, K.A.,Ruzanov, M.,Kiefer, S.E.,Khan, J.A.,Gao, M.,Reddy, S.,Sivaprasad Lvj, S.,Sane, R.,Mosure, K.,Zhuo, X.,Cao, G.G.,Ziegler, M.,Azzara, A.,Krupinski, J.,Soars, M.G.,Ellsworth, B.A.,Wacker, D.A. Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis. J.Med.Chem., 65:8948-8960, 2022 Cited by PubMed: 35704802 DOI: 10.1021/acs.jmedchem.2c00165 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.15 Å)

Structure validation