2XNE

Structure of Aurora-A bound to an imidazopyrazine inhibitor

2XNE の概要

• エントリーDOI: 10.2210/pdb2xne/pdb
• 関連するPDBエントリー: 1MQ4 1MUO 1OL5 1OL6 1OL7 2BMC 2C6D 2C6E 2J4Z 2J50 2W1C 2W1D 2W1E 2W1F 2W1G 2WQE 2WTV 2WTW 2X6D 2X6E 2X81 2XNG
• 分子名称: SERINE/THREONINE-PROTEIN KINASE 6, 3-chloro-N-(4-morpholin-4-ylphenyl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine (3 entities in total)
• 機能のキーワード: ser-thr protein kinase complex, proto-oncogene, kinase, mitosis, cell cycle, microtubule, transferase, cytoskeleton, cell division
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Cytoplasm, cytoskeleton, microtubule organizing center, centrosome : O14965
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32033.24

構造登録者

Kosmopoulou, M.,Bayliss, R. (登録日: 2010-08-02, 公開日: 2010-09-22, 最終更新日: 2023-12-20)

主引用文献

Bouloc, N.,Large, J.M.,Kosmopoulou, M.,Sun, C.,Faisal, A.,Matteucci, M.,Reynisson, J.,Brown, N.,Atrash, B.,Blagg, J.,McDonald, E.,Linardopoulos, S.,Bayliss, R.,Bavetsias, V.
Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells.
Bioorg. Med. Chem. Lett., 20:5988-5993, 2010

PubMed Abstract: Co-crystallisation of the imidazo[1,2-a]pyrazine derivative 15 (3-chloro-N-(4-morpholinophenyl)-6-(pyridin-3-yl)imidazo[1,2-a]pyrazin-8-amine) with Aurora-A provided an insight into the interactions of this class of compound with Aurora kinases. This led to the design and synthesis of potent Aurora-A inhibitors demonstrating up to 70-fold selectivity in cell-based Aurora kinase pharmacodynamic biomarker assays.

PubMed: 20833547
DOI: 10.1016/j.bmcl.2010.08.091

実験手法

X-RAY DIFFRACTION (2.8 Å)