3G9L

JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin-2-one

3G9L の概要

• エントリーDOI: 10.2210/pdb3g9l/pdb
• 関連するPDBエントリー: 3G90 3G9N
• 分子名称: Mitogen-activated protein kinase 10, (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime (3 entities in total)
• 機能のキーワード: kinase, inhibitor, phosphorylation, atp-binding, epilepsy, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm : P53779
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 42547.15

構造登録者

Jacobs, M.D. (登録日: 2009-02-13, 公開日: 2009-04-28, 最終更新日: 2024-02-21)

主引用文献

Cao, J.,Gao, H.,Bemis, G.,Salituro, F.,Ledeboer, M.,Harrington, E.,Wilke, S.,Taslimi, P.,Pazhanisamy, S.,Xie, X.,Jacobs, M.,Green, J.
Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19:2891-2895, 2009

PubMed Abstract: A series of N-benzylated isatin oximes were developed as inhibitors of the mitogen-activated kinase, JNK3. X-ray crystallographic structures aided in the design and synthesis of novel, selective compounds, that inhibit JNK3, but not p38 MAP kinase and provided key insights into understanding the behavior of gatekeeper residue methionine-146 in determining target selectivity for this series.

PubMed: 19361991
DOI: 10.1016/j.bmcl.2009.03.043

実験手法

X-RAY DIFFRACTION (2.2 Å)