3AN4

Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R

3AN4 の概要

• エントリーDOI: 10.2210/pdb3an4/pdb
• 関連するPDBエントリー: 3AN3
• 分子名称: Peroxisome proliferator-activated receptor gamma, (2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid (3 entities in total)
• 機能のキーワード: mainly alpha, nuclear receptor, transcription
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus: P37231
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 65627.05

構造登録者

Oyama, T.,Ohashi, M.,Waku, T.,Miyachi, H.,Morikawa, K. (登録日: 2010-08-30, 公開日: 2011-07-27, 最終更新日: 2023-11-01)

主引用文献

Ohashi, M.,Oyama, T.,Nakagome, I.,Satoh, M.,Nishio, Y.,Nobusada, H.,Hirono, S.,Morikawa, K.,Hashimoto, Y.,Miyachi, H.
Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54:331-341, 2011

PubMed Abstract: Peroxisome proliferator-activated receptor gamma (PPARγ) is a ligand-mediated transcription factor with roles in glucose, lipid, and lipoprotein homeostasis, and PPARγ ligands are expected have therapeutic potential in these as well as other areas. We report here the design, synthesis, crystallographic analysis, and computational studies of α-benzylphenylpropanoic acid PPARγ agonists. Interestingly, these compounds show a reversal of the stereochemistry-transactivation activity relationship observed with other phenylpropanoic acid ligands.

PubMed: 21128600
DOI: 10.1021/jm101233f

実験手法

X-RAY DIFFRACTION (2.3 Å)