1YWR

Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor

1YWR の概要

• エントリーDOI: 10.2210/pdb1ywr/pdb
• 関連するPDBエントリー: 1yw2
• 分子名称: Mitogen-activated protein kinase 14, 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE (3 entities in total)
• 機能のキーワード: p38 kinase, moncyclic pyrazolone, transferase
• 由来する生物種: Mus musculus (house mouse)
• 細胞内の位置: Cytoplasm : P47811
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 41794.72

構造登録者

Golebiowski, A.,Townes, J.A.,Laufersweiler, M.J.,Brugel, T.A.,Clark, M.P.,Clark, C.M.,Djung, J.F.,Laughlin, S.K.,Sabat, M.P.,Bookland, R.G.,Vanrens, J.C.,De, B.,Hsieh, L.C.,Janusz, M.J.,Walter, R.L.,Webster, M.E.,Mekel, M.J. (登録日: 2005-02-18, 公開日: 2005-05-10, 最終更新日: 2024-02-14)

主引用文献

Golebiowski, A.,Townes, J.A.,Laufersweiler, M.J.,Brugel, T.A.,Clark, M.P.,Clark, C.M.,Djung, J.F.,Laughlin, S.K.,Sabat, M.P.,Bookland, R.G.,Vanrens, J.C.,De, B.,Hsieh, L.C.,Janusz, M.J.,Walter, R.L.,Webster, M.E.,Mekel, M.J.
The development of monocyclic pyrazolone based cytokine synthesis inhibitors.
Bioorg.Med.Chem.Lett., 15:2285-2289, 2005

PubMed Abstract: 4-Aryl-5-pyrimidyl based cytokine synthesis inhibitors that contain a novel monocyclic, pyrazolone heterocyclic core are described. Many of these inhibitors showed low nanomolar activity against LPS-induced TNF-alpha production. One of the compounds (6e) was found to be efficacious in the rat iodoacetate (RIA) in vivo model of osteoarthritis. The X-ray crystal structure of a pyrazolone inhibitor cocrystallized with mutated p38 (mp38) is presented.

PubMed: 15837310
DOI: 10.1016/j.bmcl.2005.03.007

実験手法

X-RAY DIFFRACTION (1.95 Å)