2OBJ

Crystal structure of human PIM-1 Kinase in complex with inhibitor

2OBJ の概要

• エントリーDOI: 10.2210/pdb2obj/pdb
• 関連するPDBエントリー: 1XQZ
• 分子名称: Proto-oncogene serine/threonine-protein kinase Pim-1, 6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE (3 entities in total)
• 機能のキーワード: pim, pim-1, pim1, human pim-1 kinase, serine/threonine kinase, kinase inhibitor complex, pyridone, kinase inhibitor, transferase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Isoform 2: Cytoplasm. Isoform 1: Cell membrane: P11309
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 38351.27

構造登録者

Yao, N.,Cheney, I.W.,Yan, S. (登録日: 2006-12-19, 公開日: 2007-02-06, 最終更新日: 2024-10-16)

主引用文献

Cheney, I.W.,Yan, S.,Appleby, T.,Walker, H.,Vo, T.,Yao, N.,Hamatake, R.,Hong, Z.,Wu, J.Z.
Identification and structure-activity relationships of substituted pyridones as inhibitors of Pim-1 kinase.
Bioorg.Med.Chem.Lett., 17:1679-1683, 2007

PubMed Abstract: A novel series of highly potent substituted pyridone Pim-1 kinase inhibitors is described. Structural requirements for in vitro activity are outlined as well as a complex crystal structure with the most potent Pim-1 inhibitor reported (IC(50)=50 nM). A hydrogen bond matrix involving the Pim-1 inhibitor, two water molecules, and the catalytic core, together with a potential weak hydrogen bond between an aromatic hydrogen on the R(1) phenyl ring and a main-chain carbonyl of Pim-1, accounts for the overall potency of this inhibitor.

PubMed: 17251021
DOI: 10.1016/j.bmcl.2006.12.086

実験手法

X-RAY DIFFRACTION (2.5 Å)