3L1B

Complex Structure of FXR Ligand-binding domain with a tetrahydroazepinoindole compound

Summary for 3L1B

Entry DOI	10.2210/pdb3l1b/pdb
Related	1OSH
Descriptor	Farnesoid X receptor, 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate (3 entities in total)
Functional Keywords	nuclear receptor, fxr agonist, fxr ligand-binding domain, nucleus, receptor, transcription regulation, transcription
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	27705.78
Authors	Xu, W.,Lundquist, J.T. (deposition date: 2009-12-11, release date: 2010-03-02, Last modification date: 2024-04-03)
Primary citation	Lundquist, J.T.,Harnish, D.C.,Kim, C.Y.,Mehlmann, J.F.,Unwalla, R.J.,Phipps, K.M.,Crawley, M.L.,Commons, T.,Green, D.M.,Xu, W.,Hum, W.T.,Eta, J.E.,Feingold, I.,Patel, V.,Evans, M.J.,Lai, K.,Borges-Marcucci, L.,Mahaney, P.E.,Wrobel, J.E. Improvement of Physiochemical Properties of the Tetrahydroazepinoindole Series of Farnesoid X Receptor (FXR) Agonists: Beneficial Modulation of Lipids in Primates. J.Med.Chem., 53:1774-1787, 2010 Cited by PubMed: 20095622 DOI: 10.1021/jm901650u PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation