4DK8

Crystal structure of LXR ligand binding domain in complex with partial agonist 5

Summary for 4DK8

• Entry DOI: 10.2210/pdb4dk8/pdb
• Related: 4DK7
• Descriptor: Oxysterols receptor LXR-beta, Nuclear receptor coactivator 1, N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide, ... (6 entities in total)
• Functional Keywords: ligand binding domain, nuclear hormone receptor, transcription-peptide-agonist complex, transcription/peptide/agonist
• Biological source: Homo sapiens (human); More
• Cellular location: Nucleus (Potential): P55055; Nucleus (By similarity): Q15788
• Total number of polymer chains: 4
• Total formula weight: 61357.50

Authors

Piper, D.E.,Kopecky, D.J.,Xu, H. (deposition date: 2012-02-03, release date: 2012-03-21, Last modification date: 2024-02-28)

Primary citation

Kopecky, D.J.,Jiao, X.Y.,Fisher, B.,McKendry, S.,Labelle, M.,Piper, D.E.,Coward, P.,Shiau, A.K.,Escaron, P.,Danao, J.,Chai, A.,Jaen, J.,Kayser, F.
Discovery of a new binding mode for a series of liver X receptor agonists.
Bioorg.Med.Chem.Lett., 22:2407-2410, 2012

PubMed Abstract: Structural modification of a series of dual LXRα/β agonists led to the identification of a new class of LXRβ partial agonists. An X-ray co-crystal structure shows that a representative member of this series, pyrrole 5, binds to LXRβ with a reversed orientation compared to 1.

PubMed: 22406115
DOI: 10.1016/j.bmcl.2012.02.028

Experimental method

X-RAY DIFFRACTION (2.75 Å)