2I0H

The structure of p38alpha in complex with an arylpyridazinone

2I0H の概要

• エントリーDOI: 10.2210/pdb2i0h/pdb
• 分子名称: Mitogen-activated protein kinase 14, 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: serine/threonine kinase, inhibitor design, 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: 43241.80

構造登録者

Natarajan, S.R.,Heller, S.T.,Nam, K.,Singh, S.B.,Scapin, G.,Patel, S.,Thompson, J.E.,Fitzgerald, C.E.,O'Keefe, S.J. (登録日: 2006-08-10, 公開日: 2006-10-17, 最終更新日: 2023-08-30)

主引用文献

Natarajan, S.R.,Heller, S.T.,Nam, K.,Singh, S.B.,Scapin, G.,Patel, S.,Fitzgerald, C.E.,Thompson, J.E.,O'Keefe, S.J.
p38 MAP Kinase Inhibitors Part 6: 2-Arylpyridazin-3-ones as templates for inhibitor design.
Bioorg.Med.Chem.Lett., 16:5809-5813, 2006

PubMed Abstract: p38 inhibitors based on 3,4-dihydropyrido[4,3-d]pyrimidazin-2-one template were synthesized and their SAR explored. Benchmark compounds 30, 35, and 36 were found to be potent against the enzyme. Crystal structure of p38 in complex with 30 indicated a key pi-stacking interaction with the pendant tyrosine residue-35 in the glycine-rich loop.

PubMed: 16945533
DOI: 10.1016/j.bmcl.2006.08.074

実験手法

X-RAY DIFFRACTION (2 Å)