2WBD

FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR

2WBD の概要

• エントリーDOI: 10.2210/pdb2wbd/pdb
• 関連するPDBエントリー: 1FTA 2FHY 2FIE 2FIX 2JJK 2VT5 2WBB
• 分子名称: FRUCTOSE-1,6-BISPHOSPHATASE 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide (3 entities in total)
• 機能のキーワード: phosphoric monoester, allosteric enzyme, carbohydrate metabolism, gluconeogenesis, hydrolase
• 由来する生物種: HOMO SAPIENS (HUMAN)
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 297997.55

構造登録者

Ruf, A.,Joseph, C.,Benz, J.,Fol, B.,Tetaz, T.,Kitas, E.,Mohr, P.,Kuhn, B.,Wessel, H.P.,Hebeisen, P.,Haap, W.,Huber, W.,Alvarez Sanchez, R.,Paehler, A.,Bernadeau, A.,Gubler, M.,Schott, B.,Tozzo, E. (登録日: 2009-02-26, 公開日: 2009-12-22, 最終更新日: 2023-12-13)

主引用文献

Kitas, E.,Mohr, P.,Kuhn, B.,Wessel, H.P.,Hebeisen, P.,Haap, W.,Ruf, A.,Benz, J.,Joseph, C.,Huber, W.,Alvarez Sanchez, R.,Paehler, A.,Bernadeau, A.,Gubler, M.,Schott, B.,Tozzo, E.
Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes.
Bioorg.Med.Chem.Lett., 20:594-, 2010

PubMed Abstract: Sulfonylureido thiazoles were identified from a HTS campaign and optimized through a combination of structure-activity studies, X-ray crystallography and molecular modeling to yield potent inhibitors of fructose-1,6-bisphosphatase. Compound 12 showed favorable ADME properties, for example, F=70%, and a robust 32% glucose reduction in the acute db/db mouse model for Type-2 diabetes.

PubMed: 19969452
DOI: 10.1016/J.BMCL.2009.11.093

実験手法

X-RAY DIFFRACTION (2.4 Å)