2C6D

Aurora A kinase activated mutant (T287D) in complex with ADPNP

2C6D の概要

• エントリーDOI: 10.2210/pdb2c6d/pdb
• 関連するPDBエントリー: 1MQ4 1MUO 1OL5 1OL6 1OL7 2BMC 2C6E
• 分子名称: SERINE/THREONINE-PROTEIN KINASE 6, GLYCEROL, PHOSPHATE ION, ... (5 entities in total)
• 機能のキーワード: aurora, kinase, mitosis, cancer, cell cycle, transferase, serine/threonine-protein kinase, atp-binding, phosphorylation, nucleotide-binding
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Cytoplasm, cytoskeleton, centrosome: O14965
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32677.97

構造登録者

Pauptit, R.A.,Pannifer, A.D.,Breed, J.,McMiken, H.H.J.,Rowsell, S.,Anderson, M. (登録日: 2005-11-09, 公開日: 2006-01-11, 最終更新日: 2023-12-13)

主引用文献

Heron, N.M.,Anderson, M.,Blowers, D.P.,Breed, J.,Eden, J.M.,Green, S.,Hill, G.B.,Johnson, T.,Jung, F.H.,Mcmiken, H.H.J.,Mortlock, A.A.,Pannifer, A.D.,Pauptit, R.A.,Pink, J.,Roberts, N.J.,Rowsell, S.
Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16:1320-, 2006

PubMed Abstract: A novel series of 5-aminopyrimidinyl quinazolines has been developed from anilino-quinazoline 1, which was identified in a high throughput screen for Aurora A. Introduction of the pyrimidine ring and optimisation of the substituents both on this ring and at the C7 position of the quinazoline led to the discovery of compounds that are highly specific Aurora kinase inhibitors. Co-crystallisation of one of these inhibitors with a fragment of Aurora A shows the importance of the benzamido group in achieving selectivity.

PubMed: 16337122
DOI: 10.1016/J.BMCL.2005.11.053

実験手法

X-RAY DIFFRACTION (2.2 Å)