1pxi: Difference between revisions

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[[Image:1pxi.~~gif~~|left|200px]]

[[Image:1pxi.png|left|200px]]

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~~'''~~HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,5-Dichloro-thiophen-3-yl)-pyrimidin-2-ylamine~~'''~~

===HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,5-Dichloro-thiophen-3-yl)-pyrimidin-2-ylamine===

~~==Overview==~~

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~~A family of 4~~-~~heteroaryl~~-2-amino-pyrimidine CDK2 inhibitor lead compounds was discovered with the new database-mining program LIDAEUS through in silico screening. Four compounds with IC(50) values ranging from 17 to 0.9 microM were selected for X-ray crystal analysis. Two distinct binding modes are observed, ~~one of which resembles the hydrogen bonding pattern of bound ATP. In the second binding mode~~, the ~~ligands trigger a conformational change in~~ the ~~activation T loop by inducing movement of Lys~~(33) ~~and Asp(145) side chains. The family of molecules discovered provides an excellent starting point for~~ the ~~design and synthesis of tight binding inhibitors, which may lead to a new class of antiproliferative drugs~~.

The line below this paragraph, {{ABSTRACT_PUBMED_12679018}}, adds the Publication Abstract to the page

(as it appears on PubMed at http://www.pubmed.gov), where 12679018 is the PubMed ID number.

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==About this Structure==

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[[Category: Serine/threonine-protein kinase]]

[[Category: Transferase]]

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Sat May 3 05~~:36:13 2008''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 16:20:00 2008''

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-[[Image:1pxi.gif|left|200px]]
+{{Seed}}
+[[Image:1pxi.png|left|200px]]
 <!--
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 {{STRUCTURE_1pxi|  PDB=1pxi  |  SCENE=  }}
-'''HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,5-Dichloro-thiophen-3-yl)-pyrimidin-2-ylamine'''
+===HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,5-Dichloro-thiophen-3-yl)-pyrimidin-2-ylamine===
-==Overview==
+<!--
-A family of 4-heteroaryl-2-amino-pyrimidine CDK2 inhibitor lead compounds was discovered with the new database-mining program LIDAEUS through in silico screening. Four compounds with IC(50) values ranging from 17 to 0.9 microM were selected for X-ray crystal analysis. Two distinct binding modes are observed, one of which resembles the hydrogen bonding pattern of bound ATP. In the second binding mode, the ligands trigger a conformational change in the activation T loop by inducing movement of Lys(33) and Asp(145) side chains. The family of molecules discovered provides an excellent starting point for the design and synthesis of tight binding inhibitors, which may lead to a new class of antiproliferative drugs.
+The line below this paragraph, {{ABSTRACT_PUBMED_12679018}}, adds the Publication Abstract to the page
+(as it appears on PubMed at http://www.pubmed.gov), where 12679018 is the PubMed ID number.
+-->
+{{ABSTRACT_PUBMED_12679018}}
 ==About this Structure==
@@ Line 45: / Line 49: @@
 [[Category: Serine/threonine-protein kinase]]
 [[Category: Transferase]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 05:36:13 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 16:20:00 2008''