2HWR

Structural basis for the structure-activity relationships of Peroxisome Proliferator-Activated Receptor agonists

2HWR の概要

• エントリーDOI: 10.2210/pdb2hwr/pdb
• 関連するPDBエントリー: 2hwq
• 分子名称: Peroxisome proliferator-activated receptor gamma, 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID (3 entities in total)
• 機能のキーワード: ppar, ligand binding protein
• 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: 62543.70

構造登録者

Peng, Y.H.,Lu, I.L.,Mahindroo, N.,Lin, C.H.,Hsieh, H.P.,Wu, S.Y. (登録日: 2006-08-01, 公開日: 2007-08-07, 最終更新日: 2023-10-25)

主引用文献

Mahindroo, N.,Peng, Y.H.,Lin, C.H.,Tan, U.K.,Prakash, E.,Lien, T.W.,Lu, I.L.,Lee, H.J.,Hsu, J.T.A.,Chen, X.,Liao, C.C.,Lyu, P.C.,Chao, Y.S.,Wu, S.Y.,Hsieh, H.P.
Structural basis for the structure-activity relationships of peroxisome proliferator-activated receptor agonists
J.Med.Chem., 49:6421-6424, 2006

PubMed Abstract: Type 2 diabetes has rapidly reached an epidemic proportion becoming a major threat to global public health. PPAR agonists have emerged as a leading class of oral antidiabetic drugs. We report a structure biology analysis of novel indole-based PPAR agonists to explain the structure-activity relationships and present a critical analysis of reasons for change in selectivity with change in the orientation of the same scaffolds. The results would be helpful in designing novel PPAR agonists.

PubMed: 17034149
DOI: 10.1021/jm060663c

実験手法

X-RAY DIFFRACTION (2.34 Å)