4C2V

Aurora B kinase in complex with the specific inhibitor Barasertib

4C2V の概要

• エントリーDOI: 10.2210/pdb4c2v/pdb
• 関連するPDBエントリー: 4C2W
• 分子名称: AURORA KINASE B-A, INNER CENTROMERE PROTEIN A, 2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-3-yl]-N-(3-fluorophenyl)ethanamide, ... (4 entities in total)
• 機能のキーワード: transferase-cell cycle complex, azd1152, transferase/cell cycle
• 由来する生物種: XENOPUS LAEVIS (AFRICAN CLAWED FROG); 詳細
• 細胞内の位置: Nucleus: Q6DE08; Chromosome, centromere: O13024
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 78464.47

構造登録者

Sessa, F.,Villa, F. (登録日: 2013-08-20, 公開日: 2014-02-26, 最終更新日: 2024-10-23)

主引用文献

Sessa, F.,Villa, F.
Structure of Aurora B-Incenp in Complex with Barasertib Reveals a Potential Transinhibitory Mechanism
Acta Crystallogr.,Sect.F, 70:294-, 2014

PubMed Abstract: The Aurora family is a well conserved and well characterized group of serine-threonine kinases involved in the normal progression of mitosis. The deregulation of Aurora kinases impairs spindle assembly, checkpoint function and cell division. To date, many small molecules that compete with ATP for binding to Aurora kinases have been developed and characterized. Here, the first structure of the Xenopus laevis Aurora B-INCENP complex bound to the clinically relevant small molecule barasertib was determined. The binding properties of this inhibitor to the Aurora B active site are analyzed and reported. An unexpected crystal-packing contact in the Aurora B-INCENP structure coordinated by an ATP analogue is also reported, in which the INCENP C-terminus occupies the substrate-binding region, resembling the protein kinase A inhibitory mechanism.

PubMed: 24598913
DOI: 10.1107/S2053230X14002118

実験手法

X-RAY DIFFRACTION (1.49 Å)