2BMC

Aurora-2 T287D T288D complexed with PHA-680632

Summary for 2BMC

• Entry DOI: 10.2210/pdb2bmc/pdb
• Related: 1MQ4 1MUO 1OL5 1OL6 1OL7
• Descriptor: 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)
• Functional Keywords: cell cycle, transferase, serine/threonine-protein kinase, atp-binding, phosphorylation
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 6
• Total formula weight: 214816.53

Authors

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. (deposition date: 2005-03-11, release date: 2005-03-17, Last modification date: 2024-05-01)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (2.6 Å)