2v0d: Difference between revisions

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[[Image:2v0d.~~gif~~|left|200px]]

[[Image:2v0d.png|left|200px]]

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~~'''~~CRYSTAL STRUCTURE OF HUMAN CDK2 COMPLEXED WITH A THIAZOLIDINONE INHIBITOR~~'''~~

===CRYSTAL STRUCTURE OF HUMAN CDK2 COMPLEXED WITH A THIAZOLIDINONE INHIBITOR===

~~==Overview==~~

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~~Virtual screening against a pCDK2/cyclin A crystal structure led to the identification of a potent and novel CDK2 inhibitor~~, ~~which exhibited an unusual mode of interaction with the kinase binding motif. With~~ the ~~aid of X-ray crystallography and modelling, a medicinal chemistry strategy was implemented~~ to ~~probe~~ the ~~interactions seen in the crystal structure and to establish SAR~~. ~~A fragment-based approach was also considered but a different, more conventional, binding mode was observed~~. ~~Compound selectivity against GSK-3beta was improved using a rational design strategy~~, ~~with crystallographic verification of~~ the ~~CDK2 binding mode~~.

The line below this paragraph, {{ABSTRACT_PUBMED_17570665}}, adds the Publication Abstract to the page

(as it appears on PubMed at http://www.pubmed.gov), where 17570665 is the PubMed ID number.

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==About this Structure==

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[[Category: Thiazolidinone ligand]]

[[Category: Transferase]]

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Sun May 4 17~~:57:19 2008''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 16:33:45 2008''

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-[[Image:2v0d.gif|left|200px]]
+{{Seed}}
+[[Image:2v0d.png|left|200px]]
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 {{STRUCTURE_2v0d|  PDB=2v0d  |  SCENE=  }}
-'''CRYSTAL STRUCTURE OF HUMAN CDK2 COMPLEXED WITH A THIAZOLIDINONE INHIBITOR'''
+===CRYSTAL STRUCTURE OF HUMAN CDK2 COMPLEXED WITH A THIAZOLIDINONE INHIBITOR===
-==Overview==
+<!--
-Virtual screening against a pCDK2/cyclin A crystal structure led to the identification of a potent and novel CDK2 inhibitor, which exhibited an unusual mode of interaction with the kinase binding motif. With the aid of X-ray crystallography and modelling, a medicinal chemistry strategy was implemented to probe the interactions seen in the crystal structure and to establish SAR. A fragment-based approach was also considered but a different, more conventional, binding mode was observed. Compound selectivity against GSK-3beta was improved using a rational design strategy, with crystallographic verification of the CDK2 binding mode.
+The line below this paragraph, {{ABSTRACT_PUBMED_17570665}}, adds the Publication Abstract to the page
+(as it appears on PubMed at http://www.pubmed.gov), where 17570665 is the PubMed ID number.
+-->
+{{ABSTRACT_PUBMED_17570665}}
 ==About this Structure==
@@ Line 39: / Line 43: @@
 [[Category: Thiazolidinone ligand]]
 [[Category: Transferase]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 17:57:19 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 16:33:45 2008''