2F7X

Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine

2F7X の概要

• エントリーDOI: 10.2210/pdb2f7x/pdb
• 関連するPDBエントリー: 1YDS 2F7E 2F7Z
• 分子名称: cAMP-dependent protein kinase, alpha-catalytic subunit, PKI, inhibitory peptide, (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, ... (4 entities in total)
• 機能のキーワード: protein kinase a, akt inhibitors, transferase
• 由来する生物種: Bos taurus (cattle)
• 細胞内の位置: Cytoplasm: P00517
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 43274.51

構造登録者

Li, Q.,Li, T.,Zhu, G.D.,Gong, J.,Claibone, A.,Dalton, C.,Luo, Y.,Johnson, E.F.,Shi, Y.,Liu, X.,Klinghofer, V.,Bauch, J.L.,Marsh, K.C.,Bouska, J.J.,Arries, S.,De Jong, R.,Oltersdorf, T.,Stoll, V.S.,Jakob, C.G.,Rosenberg, S.H.,Giranda, V.L. (登録日: 2005-12-01, 公開日: 2006-06-27, 最終更新日: 2024-02-14)

主引用文献

Li, Q.,Li, T.,Zhu, G.D.,Gong, J.,Claibone, A.,Dalton, C.,Luo, Y.,Johnson, E.F.,Shi, Y.,Liu, X.,Klinghofer, V.,Bauch, J.L.,Marsh, K.C.,Bouska, J.J.,Arries, S.,De Jong, R.,Oltersdorf, T.,Stoll, V.S.,Jakob, C.G.,Rosenberg, S.H.,Giranda, V.L.
Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 16:1679-1685, 2006

PubMed Abstract: A novel series of Akt/PKB inhibitors derived from a screening lead (1) has been prepared. The novel trans-3,4'-bispyridinylethylenes described herein are potent inhibitors of Akt/PKB with IC(50) values in the low double-digit nanomolar range against Akt1. Compound 2q shows excellent selectivity against distinct families of kinases such as tyrosine kinases and CAMK, and displays poor to modest selectivity against closely related kinases in the AGC and CMGC families. The cellular activities including inhibition of cell growth and phosphorylation of downstream target GSK3 are also described. The X-ray structure of compound 2q complexed with PKA in the ATP binding site was determined.

PubMed: 16403626
DOI: 10.1016/j.bmcl.2005.12.017

実験手法

X-RAY DIFFRACTION (1.9 Å)