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2j9m

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[[Image:2j9m.jpg|left|200px]]<br /><applet load="2j9m" size="450" color="white" frame="true" align="right" spinBox="true"
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[[Image:2j9m.jpg|left|200px]]<br /><applet load="2j9m" size="350" color="white" frame="true" align="right" spinBox="true"
caption="2j9m, resolution 2.50&Aring;" />
caption="2j9m, resolution 2.50&Aring;" />
'''CRYSTAL STRUCTURE OF CDK2 IN COMPLEX WITH MACROCYCLIC AMINOPYRIMIDINE'''<br />
'''CRYSTAL STRUCTURE OF CDK2 IN COMPLEX WITH MACROCYCLIC AMINOPYRIMIDINE'''<br />
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==About this Structure==
==About this Structure==
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2J9M is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with PY8 as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] Known structural/functional Site: <scene name='pdbsite=AC1:Py8 Binding Site For Chain A'>AC1</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2J9M OCA].
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2J9M is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=PY8:'>PY8</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] Known structural/functional Site: <scene name='pdbsite=AC1:Py8 Binding Site For Chain A'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2J9M OCA].
==Reference==
==Reference==
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[[Category: transferase]]
[[Category: transferase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 19:56:31 2007''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 12:21:15 2008''

Revision as of 10:21, 23 January 2008


2j9m, resolution 2.50Å

Drag the structure with the mouse to rotate

CRYSTAL STRUCTURE OF CDK2 IN COMPLEX WITH MACROCYCLIC AMINOPYRIMIDINE

Overview

X-ray structures from CDK2-aminopyrimidine inhibitor complexes led to the, idea to stabilize the active conformation of aminopyrimidine inhibitors by, incorporating the recognition site into a macrocyclic framework. A modular, synthesis approach that relies on a new late-stage macrocyclization, protocol that enables fast and efficient synthesis of macrocyclic, aminopyrimidines was developed. A set of structurally diverse derivatives, was prepared. Macrocyclic aminopyrimidines were shown to be multitarget, inhibitors of CDK1/2 and VEGF-RTKs. In addition, potent antiproliferative, activities toward various human tumor cells and a human tumor xenograft, model were demonstrated.

About this Structure

2J9M is a Single protein structure of sequence from Homo sapiens with as ligand. Active as Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 Known structural/functional Site: . Full crystallographic information is available from OCA.

Reference

Macrocyclic Aminopyrimidines as Multitarget CDK and VEGF-R Inhibitors with Potent Antiproliferative Activities., Lucking U, Siemeister G, Schafer M, Briem H, Kruger M, Lienau P, Jautelat R, ChemMedChem. 2007 Jan 15;2(1):63-77. PMID:17131463

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