1WZY

Crystal structure of human ERK2 complexed with a pyrazolopyridazine derivative

1WZY の概要

• エントリーDOI: 10.2210/pdb1wzy/pdb
• 分子名称: Mitogen-activated protein kinase 1, 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE (3 entities in total)
• 機能のキーワード: erk2, inhibitor, kinase, transferase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm, cytoskeleton, spindle : P28482
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 42598.85

構造登録者

Kinoshita, T. (登録日: 2005-03-10, 公開日: 2005-12-20, 最終更新日: 2024-03-13)

主引用文献

Kinoshita, T.,Warizaya, M.,Ohori, M.,Sato, K.,Neya, M.,Fujii, T.
Crystal structure of human ERK2 complexed with a pyrazolo[3,4-c]pyridazine derivative
Bioorg.Med.Chem.Lett., 16:55-58, 2006

PubMed Abstract: A series of pyrazolopyridazine compounds were briefly investigated as ERK2 inhibitors. The crystal structure of ERK2 complexed with an allyl derivative was determined. The compound induces structural change including movement of the glycine-rich loop and peptide flip between Met108-Glu109. As a result, the newly formed subsite can recognize small hydrophobic substituents but not hydrophilic ones.

PubMed: 16242327
DOI: 10.1016/j.bmcl.2005.09.055

実験手法

X-RAY DIFFRACTION (2.5 Å)