3V9Y

Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator

Summary for 3V9Y

• Entry DOI: 10.2210/pdb3v9y/pdb
• Related: 3B1M 3LMP 3V9T 3V9V
• Descriptor: Peroxisome proliferator-activated receptor gamma, Peptide from Nuclear receptor coactivator 1, 4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid, ... (4 entities in total)
• Functional Keywords: three-layered alpha-helical sandwich, transcription regulation, transcription-transcription regulator complex, transcription/transcription regulator
• Biological source: Homo sapiens (human); More
• Cellular location: Nucleus: P37231; Nucleus (By similarity): Q15788
• Total number of polymer chains: 2
• Total formula weight: 34760.22

Authors

Matsui, Y.,Hanzawa, H. (deposition date: 2011-12-28, release date: 2012-02-01, Last modification date: 2023-11-08)

Primary citation

Furukawa, A.,Arita, T.,Fukuzaki, T.,Satoh, S.,Mori, M.,Honda, T.,Matsui, Y.,Wakabayashi, K.,Hayashi, S.,Araki, K.,Ohsumi, J.
Substituents at the naphthalene C3 position of (-)-Cercosporamide derivatives significantly affect the maximal efficacy as PPAR(gamma) partial agonists
Bioorg.Med.Chem.Lett., 22:1348-1351, 2012

PubMed Abstract: Peroxisome proliferator-activated receptor gamma (PPARγ) is a potential drug target for treating type 2 diabetes. The selective PPARγ modulators (SPPARMs), which partially activate the PPARγ transcriptional activity, are considered to improve the plasma glucose level with attenuated PPARγ related adverse effects. However, the relationships between desired pharmacological profiles and ligand specific PPARγ transcriptional profiles have been unclear. And there is also little knowledge of how to control ligand specific PPARγ transcriptional profiles. Herein, we present synthesis of novel derivatives containing substituent at naphthalene C3 position of compound 1. The novel derivatives showed various maximal efficacies as PPARγ partial agonist.

PubMed: 22225641
DOI: 10.1016/j.bmcl.2011.12.066

Experimental method

X-RAY DIFFRACTION (2.1 Å)