3ION

PDK1 in complex with Compound 8h

3ION の概要

• エントリーDOI: 10.2210/pdb3ion/pdb
• 関連するPDBエントリー: 3IOP
• 分子名称: 3-phosphoinositide-dependent protein kinase 1, 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: pdk-1, inhibitor, alternative splicing, atp-binding, cytoplasm, kinase, membrane, 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: O15530
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 36150.48

構造登録者

Olland, A.M. (登録日: 2009-08-14, 公開日: 2010-02-09, 最終更新日: 2024-02-21)

主引用文献

Nittoli, T.,Dushin, R.G.,Ingalls, C.,Cheung, K.,Floyd, M.B.,Fraser, H.,Olland, A.,Hu, Y.,Grosu, G.,Han, X.,Arndt, K.,Guo, B.,Wissner, A.
The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).
Eur.J.Med.Chem., 45:1379-1386, 2010

PubMed Abstract: A series of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamine-based inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1) has been identified. Several examples appear to be potent and relatively selective inhibitors of PDK-1 over the related AGC kinases PKA, PKB/AKT, and p70S6K. The introduction of a stereochemical center beside the amino substituent on the aminoalkoxy-side chain had little effect upon the inhibitory activity against these enzymes, and X-ray crystallographic analyses of a representative pair of enantiomeric inhibitors bound to the active site of PDK-1 revealed comparable binding modes for each enantiomer.

PubMed: 20074837
DOI: 10.1016/j.ejmech.2009.12.036

実験手法

X-RAY DIFFRACTION (2.4 Å)