3E92

Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor

3E92 の概要

• エントリーDOI: 10.2210/pdb3e92/pdb
• 関連するPDBエントリー: 3E93
• 分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: p38, serine/threonine protein kinase, map kinase, atp-binding, kinase, nucleotide-binding, nucleus, phosphoprotein, serine/threonine-protein kinase, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm : Q16539
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 43382.52

構造登録者

Somers, D.O.,Patel, S. (登録日: 2008-08-21, 公開日: 2008-09-30, 最終更新日: 2024-10-16)

主引用文献

Baldwin, I.,Bamborough, P.,Haslam, C.G.,Hunjan, S.S.,Longstaff, T.,Mooney, C.J.,Patel, S.,Quinn, J.,Somers, D.O.
Kinase array design, back to front: Biaryl amides
Bioorg.Med.Chem.Lett., 18:5285-5289, 2008

PubMed Abstract: New kinase inhibitors can be found by synthesis of targeted arrays of compounds designed using system-based knowledge as well as through screening focused or diverse compounds. Most array strategies aim to add functionality to a fragment that binds in the purine subpocket of the ATP-site. Here, an alternative pharmacophore-guided array approach is described which set out to discover novel purine subpocket-binding groups. Results are shown for p38alpha and cFMS kinase, for which multiple distinct series with nanomolar potency were discovered. Some of the compounds showed potency in cell-based assays and good pharmacokinetic properties.

PubMed: 18789685
DOI: 10.1016/j.bmcl.2008.08.051

実験手法

X-RAY DIFFRACTION (2 Å)