2R7B

Crystal Structure of the Phosphoinositide-dependent Kinase-1 (PDK-1)Catalytic Domain bound to a dibenzonaphthyridine inhibitor

2R7B の概要

• エントリーDOI: 10.2210/pdb2r7b/pdb
• 分子名称: 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine, ... (4 entities in total)
• 機能のキーワード: pdk1, dibenzonaphthyridine, inhibitor, signaling protein, 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: 36083.29

構造登録者

Olland, A.M. (登録日: 2007-09-07, 公開日: 2008-09-09, 最終更新日: 2024-11-06)

主引用文献

Gopalsamy, A.,Shi, M.,Boschelli, D.H.,Williamson, R.,Olland, A.M.,Hu, Y.,Krishnamurthy, G.,Han, X.,Arndt, K.,Guo, B.
Discovery of Dibenzo[c,f][2,7]naphthyridines as Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 Inhibitors.
J.Med.Chem., 50:5547-5549, 2007

PubMed Abstract: With high-throughput screening, substituted dibenzo[c,f][2,7]naphthyridine 1 was identified as a novel potent and selective phosphoinositide-dependent kinase-1 (PDK-1) inhibitor. Various regions of the lead molecule were explored to understand the SAR requirement for this scaffold. The crystal structure of 1 with kinase domain of PDK-1 confirmed the binding in the active site. The key interaction of the molecule with the active site residues, observed SAR, and the biological profile are discussed in detail.

PubMed: 17941624
DOI: 10.1021/jm070851i

実験手法

X-RAY DIFFRACTION (2.7 Å)