2OI4

Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole

2OI4 の概要

• エントリーDOI: 10.2210/pdb2oi4/pdb
• 関連するPDBエントリー: 1YHS 2BZH 2BZI 2BZJ
• 分子名称: Proto-oncogene serine/threonine-protein kinase Pim-1, CHLORIDE ION, FLUORINATED PYRIDOCARBAZOLE CYCLOPENTADIENYL RU(CO) COMPLEX, ... (6 entities in total)
• 機能のキーワード: transferase, pim1, kinase, atp-binding, phosphorylation
• 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: 36590.99

構造登録者

Maksimoska, J.,Meggers, E. (登録日: 2007-01-10, 公開日: 2007-04-10, 最終更新日: 2023-12-27)

主引用文献

Pagano, N.,Maksimoska, J.,Bregman, H.,Williams, D.S.,Webster, R.D.,Xue, F.,Meggers, E.
Ruthenium half-sandwich complexes as protein kinase inhibitors: derivatization of the pyridocarbazole pharmacophore ligand.
Org.Biomol.Chem., 5:1218-1227, 2007

PubMed Abstract: A general route to ruthenium pyridocarbazole half-sandwich complexes is presented and applied to the synthesis of sixteen new compounds, many of which have modulated protein kinase inhibition properties. For example, the incorporation of a fluorine into the pyridine moiety increases the binding affinity for glycogen synthase kinase 3 by almost one order of magnitude. These data are supplemented with cyclic voltammetry experiments and a protein co-crystallographic study.

PubMed: 17406720
DOI: 10.1039/b700433h

実験手法

X-RAY DIFFRACTION (2.2 Å)