3V9V

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

3V9V の概要

• エントリーDOI: 10.2210/pdb3v9v/pdb
• 関連するPDBエントリー: 3B1M 3LMP 3V9T 3V9Y
• 分子名称: Peroxisome proliferator-activated receptor gamma, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, methyl 3-{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}propanoate, ... (4 entities in total)
• 機能のキーワード: three-layered alpha-helical sandwich, transcription regulation, transcription-transcription regulator complex, transcription/transcription regulator
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Nucleus: P37231 Q9UBK2
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 35051.53

構造登録者

Matsui, Y.,Hanzawa, H. (登録日: 2011-12-28, 公開日: 2012-02-01, 最終更新日: 2023-11-08)

主引用文献

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, 2011

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

実験手法

X-RAY DIFFRACTION (1.6 Å)