3L8X

P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor

「3CG2」から置き換えられました

3L8X の概要

• エントリーDOI: 10.2210/pdb3l8x/pdb
• 分子名称: Mitogen-activated protein kinase 14, N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide (3 entities in total)
• 機能のキーワード: p38 map kinase, serine/threonine-protein kinase, transferase
• 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: 42463.40

構造登録者

Sack, J.S. (登録日: 2010-01-04, 公開日: 2010-03-02, 最終更新日: 2024-02-21)

主引用文献

Das, J.,Moquin, R.V.,Pitt, S.,Zhang, R.,Shen, D.R.,Mcintyre, K.W.,Gillooly, K.,Doweyko, A.M.,Sack, J.S.,Zhang, H.,Kiefer, S.E.,Kish, K.,Mckinnon, M.,Barrish, J.C.,Dodd, J.H.,Schieven, G.L.,Leftheris, K.
Pyrazolo-Pyrimidines: A Novel Heterocyclic Scaffold for Potent and Selective P38 Alpha Inhibitors.
Bioorg.Med.Chem.Lett., 18:2652-, 2008

PubMed Abstract: The synthesis and structure-activity relationships (SAR) of p38 alpha MAP kinase inhibitors based on a pyrazolo-pyrimidine scaffold are described. These studies led to the identification of compound 2x as a potent and selective inhibitor of p38 alpha MAP kinase with excellent cellular potency toward the inhibition of TNFalpha production. Compound 2x was highly efficacious in vivo in inhibiting TNFalpha production in an acute murine model of TNFalpha production. X-ray co-crystallography of a pyrazolo-pyrimidine analog 2b bound to unphosphorylated p38 alpha is also disclosed.

PubMed: 18359226
DOI: 10.1016/J.BMCL.2008.03.019

実験手法

X-RAY DIFFRACTION (2.4 Å)