3QUE

Human p38 MAP Kinase in Complex with Skepinone-L

3QUE の概要

• エントリーDOI: 10.2210/pdb3que/pdb
• 関連するPDBエントリー: 3QUD
• 分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, ... (4 entities in total)
• 機能のキーワード: kinase domain, phosphate transferase, dibenzosuberone derivative, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 42279.22

構造登録者

Gruetter, C.,Mayer-Wrangowski, S.,Richters, A.,Rauh, D. (登録日: 2011-02-23, 公開日: 2012-01-18, 最終更新日: 2023-11-01)

主引用文献

Koeberle, S.C.,Romir, J.,Fischer, S.,Koeberle, A.,Schattel, V.,Albrecht, W.,Grutter, C.,Werz, O.,Rauh, D.,Stehle, T.,Laufer, S.A.
Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor.
Nat.Chem.Biol., 8:141-143, 2012

PubMed Abstract: Until now, a lack of inhibitors with high potency and selectivity in vivo has hampered investigation of the p38 mitogen-activated protein kinase (MAPK) signaling pathway. We describe the design of skepinone-L, which is, to our knowledge, the first ATP-competitive p38 MAPK inhibitor with excellent in vivo efficacy and selectivity. Therefore, skepinone-L is a valuable probe for chemical biology research, and it may foster the development of a unique class of kinase inhibitors.

PubMed: 22198732
DOI: 10.1038/nchembio.761

実験手法

X-RAY DIFFRACTION (2.7 Å)