3A29

Crystal structure of human liver FBPase in complex with tricyclic inhibitor

3A29 の概要

• エントリーDOI: 10.2210/pdb3a29/pdb
• 分子名称: Fructose-1,6-bisphosphatase 1, 2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate (3 entities in total)
• 機能のキーワード: hydrolase, allosteric enzyme, carbohydrate metabolism, disease mutation, gluconeogenesis, magnesium, metal-binding, polymorphism
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 148105.93

構造登録者

Takahashi, M.,Sone, J.,Hanzawa, H. (登録日: 2009-05-08, 公開日: 2009-10-06, 最終更新日: 2023-11-01)

主引用文献

Tsukada, T.,Takahashi, M.,Takemoto, T.,Kanno, O.,Yamane, T.,Kawamura, S.,Nishi, T.
Synthesis, SAR, and X-ray structure of tricyclic compounds as potent FBPase inhibitors
Bioorg.Med.Chem.Lett., 19:5909-5912, 2009

PubMed Abstract: With the aim of discovering a novel class of fructose-1,6-bisphosphatase (FBPase) inhibitors, a series of compounds based on tricyclic scaffolds was synthesized. Extensive SAR studies led to the finding of 8l with an IC50 value of 0.013 microM against human FBPase. An X-ray crystallographic study revealed that 8l bound at AMP binding sites of human liver FBPase with hydrogen bonding interactions similar to AMP.

PubMed: 19762234
DOI: 10.1016/j.bmcl.2009.08.081

実験手法

X-RAY DIFFRACTION (2.6 Å)