2BMC

Aurora-2 T287D T288D complexed with PHA-680632

2BMC の概要

• エントリーDOI: 10.2210/pdb2bmc/pdb
• 関連するPDBエントリー: 1MQ4 1MUO 1OL5 1OL6 1OL7
• 分子名称: SERINE THREONINE-PROTEIN KINASE 6, (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE (3 entities in total)
• 機能のキーワード: cell cycle, transferase, serine/threonine-protein kinase, atp-binding, phosphorylation
• 由来する生物種: HOMO SAPIENS (HUMAN)
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 214816.53

構造登録者

Cameron, A.D.,Izzo, G.,Sagliano, A.,Rusconi, L.,Storici, P.,Fancelli, D.,Berta, D.,Bindi, S.,Catana, C.,Forte, B.,Giordano, P.,Mantegani, S.,Meroni, M.,Moll, J.,Pittala, V.,Severino, D.,Tonani, R.,Varasi, M.,Vulpetti, A.,Vianello, P. (登録日: 2005-03-11, 公開日: 2005-03-17, 最終更新日: 2024-05-01)

主引用文献

Fancelli, D.,Berta, D.,Bindi, S.,Cameron, A.,Cappella, P.,Carpinelli, P.,Catana, C.,Forte, B.,Giordano, P.,Giorgini, M.L.,Mantegani, S.,Marsiglio, A.,Meroni, M.,Moll, J.,Pittala, V.,Roletto, F.,Severino, D.,Soncini, C.,Storici, P.,Tonani, R.,Varasi, M.,Vulpetti, A.,Vianello, P.
Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition.
J.Med.Chem., 48:3080-, 2005

PubMed Abstract: Potent and selective Aurora kinase inhibitors were identified from the combinatorial expansion of the 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole bi-cycle, a novel and versatile scaffold designed to target the ATP pocket of protein kinases. The most potent compound reported in this study had an IC(50) of 0.027 microM in the enzymatic assay for Aur-A inhibition and IC(50)s between 0.05 microM and 0.5 microM for the inhibition of proliferation of different tumor cell lines.

PubMed: 15828847
DOI: 10.1021/JM049076M

実験手法

X-RAY DIFFRACTION (2.6 Å)