2qc6

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{{STRUCTURE_2qc6| PDB=2qc6 | SCENE= }}
{{STRUCTURE_2qc6| PDB=2qc6 | SCENE= }}
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'''Protein kinase CK2 in complex with DBC'''
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===Protein kinase CK2 in complex with DBC===
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==Overview==
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Casein kinase 2 (CK2) is an ubiquitous, essential, and highly pleiotropic protein kinase whose abnormally high constitutive activity is suspected to underlie its pathogenic potential in neoplasia and other diseases. Recently, using different virtual screening approaches, we have identified several novel CK2 inhibitors. In particular, we have discovered that coumarin moiety can be considered an attractive CK2 inhibitor scaffold. In the present work, we have synthetized and tested a small library of coumarins (more than 60), rationalizing the observed structure-activity relationship. Moreover, the most promising inhibitor, 3,8-dibromo-7-hydroxy-4-methylchromen-2-one (DBC), has been also crystallized in complex with CK2, and the experimental binding mode has been used to derive a linear interaction energy (LIE) model.
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(as it appears on PubMed at http://www.pubmed.gov), where 18251491 is the PubMed ID number.
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{{ABSTRACT_PUBMED_18251491}}
==About this Structure==
==About this Structure==
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[[Category: Kinase inhibitor]]
[[Category: Kinase inhibitor]]
[[Category: Transferase]]
[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 18:29:52 2008''

Revision as of 15:29, 27 July 2008

Image:2qc6.png

Template:STRUCTURE 2qc6

Protein kinase CK2 in complex with DBC

Template:ABSTRACT PUBMED 18251491

About this Structure

2QC6 is a Single protein structure of sequence from Zea mays. Full crystallographic information is available from OCA.

Reference

Coumarin as Attractive Casein Kinase 2 (CK2) Inhibitor Scaffold: An Integrate Approach To Elucidate the Putative Binding Motif and Explain Structure-Activity Relationships., Chilin A, Battistutta R, Bortolato A, Cozza G, Zanatta S, Poletto G, Mazzorana M, Zagotto G, Uriarte E, Guiotto A, Pinna LA, Meggio F, Moro S, J Med Chem. 2008 Feb 28;51(4):752-759. Epub 2008 Feb 6. PMID:18251491

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