2btr

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[[Image:2btr.gif|left|200px]]
[[Image:2btr.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2btr |SIZE=350|CAPTION= <scene name='initialview01'>2btr</scene>, resolution 1.85&Aring;
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The line below this paragraph, containing "STRUCTURE_2btr", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:U73+Binding+Site+For+Chain+A'>AC1</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=U73:N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE'>U73</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_2btr| PDB=2btr | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2btr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2btr OCA], [http://www.ebi.ac.uk/pdbsum/2btr PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2btr RCSB]</span>
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}}
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'''STRUCTURE OF CDK2 COMPLEXED WITH PNU-198873'''
'''STRUCTURE OF CDK2 COMPLEXED WITH PNU-198873'''
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[[Category: Villa, M.]]
[[Category: Villa, M.]]
[[Category: Vulpetti, A.]]
[[Category: Vulpetti, A.]]
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[[Category: cell division]]
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[[Category: Cell division]]
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[[Category: phosphorylation]]
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[[Category: Phosphorylation]]
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[[Category: protein kinase]]
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[[Category: Protein kinase]]
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[[Category: serine/threonine-protein 2 kinase]]
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[[Category: Serine/threonine-protein 2 kinase]]
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[[Category: transferase]]
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[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 20:47:15 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:11:38 2008''
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Revision as of 17:47, 3 May 2008

Image:2btr.gif

Template:STRUCTURE 2btr

STRUCTURE OF CDK2 COMPLEXED WITH PNU-198873


Overview

N-(5-Bromo-1,3-thiazol-2-yl)butanamide (compound 1) was found active (IC50=808 nM) in a high throughput screening (HTS) for CDK2 inhibitors. By exploiting crystal structures of several complexes between CDK2 and inhibitors and applying structure-based drug design (SBDD), we rapidly discovered a very potent and selective CDK2 inhibitor 4-[(5-isopropyl-1,3-thiazol-2-yl)amino] benzenesulfonamide (compound 4, IC50=20 nM). The syntheses, structure-based analog design, kinases inhibition data and X-ray crystallographic structures of CDK2/inhibitor complexes are reported.

About this Structure

2BTR is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structure-based drug design to the discovery of new 2-aminothiazole CDK2 inhibitors., Vulpetti A, Casale E, Roletto F, Amici R, Villa M, Pevarello P, J Mol Graph Model. 2006 Mar;24(5):341-8. Epub 2005 Nov 2. PMID:16260160 Page seeded by OCA on Sat May 3 20:47:15 2008

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OCA

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