2OJJ

Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

2OJJ の概要

• エントリーDOI: 10.2210/pdb2ojj/pdb
• 関連するPDBエントリー: 2OJG 2OJI 2OK1
• 分子名称: Mitogen-activated protein kinase 1, SULFATE ION, (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, ... (4 entities in total)
• 機能のキーワード: kinase inhibitor, 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: 44171.37

構造登録者

Xie, X.,Jacobs, M.D. (登録日: 2007-01-12, 公開日: 2007-02-06, 最終更新日: 2023-12-27)

主引用文献

Aronov, A.M.,Baker, C.,Bemis, G.W.,Cao, J.,Chen, G.,Ford, P.J.,Germann, U.A.,Green, J.,Hale, M.R.,Jacobs, M.,Janetka, J.W.,Maltais, F.,Martinez-Botella, G.,Namchuk, M.N.,Straub, J.,Tang, Q.,Xie, X.
Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50:1280-1287, 2007

PubMed Abstract: The Ras/Raf/MEK/ERK signal transduction is a key oncogenic pathway implicated in a variety of human cancers. We have identified a novel series of pyrazolylpyrroles as inhibitors of ERK. Aided by the discovery of two distinct binding modes for the pyrazolylpyrrole scaffold, structure-guided optimization culminated in the discovery of 6p, a potent and selective inhibitor of ERK.

PubMed: 17300186
DOI: 10.1021/jm061381f

実験手法

X-RAY DIFFRACTION (2.4 Å)