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| [[Image:2c5x.gif|left|200px]] | | {{Seed}} |
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| {{STRUCTURE_2c5x| PDB=2c5x | SCENE= }} | | {{STRUCTURE_2c5x| PDB=2c5x | SCENE= }} |
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| '''DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN'''
| | ===DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN=== |
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| ==Overview==
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| The cyclin-dependent kinases (CDKs) have been characterized in complex with a variety of inhibitors, but the majority of structures solved are in the inactive form. We have solved the structures of six inhibitors in both the monomeric CDK2 and binary CDK2/cyclinA complexes and demonstrate that significant differences in ligand binding occur depending on the activation state. The binding mode of two ligands in particular varies substantially in active and inactive CDK2. Furthermore, energetic analysis of CDK2/cyclin/inhibitors demonstrates that a good correlation exists between the in vitro potency and the calculated energies of interaction, but no such relationship exists for CDK2/inhibitor structures. These results confirm that monomeric CDK2 ligand complexes do not fully reflect active conformations, revealing significant implications for inhibitor design while also suggesting that the monomeric CDK2 conformation can be selectively inhibited. | | The line below this paragraph, {{ABSTRACT_PUBMED_16492568}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 16492568 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_16492568}} |
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| ==About this Structure== | | ==About this Structure== |
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| [[Category: Serine/threonine-protein kinase]] | | [[Category: Serine/threonine-protein kinase]] |
| [[Category: Transferase]] | | [[Category: Transferase]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 21:18:01 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 07:29:55 2008'' |