2p3g

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[[Image:2p3g.jpg|left|200px]]<br /><applet load="2p3g" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2p3g.jpg|left|200px]]
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caption="2p3g, resolution 3.800&Aring;" />
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'''Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2'''<br />
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{{Structure
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|PDB= 2p3g |SIZE=350|CAPTION= <scene name='initialview01'>2p3g</scene>, resolution 3.800&Aring;
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|SITE= <scene name='pdbsite=AC1:F10+Binding+Site+For+Residue+X+401'>AC1</scene>
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|LIGAND= <scene name='pdbligand=F10:2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE'>F10</scene>
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|ACTIVITY= [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]
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|GENE= MAPKAPK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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}}
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'''Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2P3G 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=F10:'>F10</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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2P3G OCA].
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2P3G is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2P3G OCA].
==Reference==
==Reference==
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Pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2)., Anderson DR, Meyers MJ, Vernier WF, Mahoney MW, Kurumbail RG, Caspers N, Poda GI, Schindler JF, Reitz DB, Mourey RJ, J Med Chem. 2007 May 31;50(11):2647-54. Epub 2007 May 5. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17480064 17480064]
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Pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2)., Anderson DR, Meyers MJ, Vernier WF, Mahoney MW, Kurumbail RG, Caspers N, Poda GI, Schindler JF, Reitz DB, Mourey RJ, J Med Chem. 2007 May 31;50(11):2647-54. Epub 2007 May 5. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17480064 17480064]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Non-specific serine/threonine protein kinase]]
[[Category: Non-specific serine/threonine protein kinase]]
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[[Category: atp-binding]]
[[Category: atp-binding]]
[[Category: kinase domain]]
[[Category: kinase domain]]
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[[Category: map kinases]]
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[[Category: map kinase]]
[[Category: mk-2]]
[[Category: mk-2]]
[[Category: mk2]]
[[Category: mk2]]
[[Category: serine/threonine kinase]]
[[Category: serine/threonine kinase]]
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[[Category: transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:25:34 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:08:06 2008''

Revision as of 16:08, 20 March 2008

Image:2p3g.jpg


PDB ID 2p3g

Drag the structure with the mouse to rotate
, resolution 3.800Å
Sites:
Ligands:
Gene: MAPKAPK2 (Homo sapiens)
Activity: Non-specific serine/threonine protein kinase, with EC number 2.7.11.1
Coordinates: save as pdb, mmCIF, xml



Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2


Overview

A new class of potent kinase inhibitors selective for mitogen-activated protein kinase-activated protein kinase 2 (MAPKAP-K2 or MK-2) for the treatment of rheumatoid arthritis has been prepared and evaluated. These inhibitors have IC50 values as low as 10 nM against the target and have good selectivity profiles against a number of kinases including CDK2, ERK, JNK, and p38. These MK-2 inhibitors have been shown to suppress TNFalpha production in U397 cells and to be efficacious in an acute inflammation model. The structure-activity relationships of this series, the selectivity for MK-2 and their activity in both in vitro and in vivo models are discussed. The observed selectivity is discussed with the aid of an MK-2/inhibitor crystal structure.

About this Structure

2P3G is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2)., Anderson DR, Meyers MJ, Vernier WF, Mahoney MW, Kurumbail RG, Caspers N, Poda GI, Schindler JF, Reitz DB, Mourey RJ, J Med Chem. 2007 May 31;50(11):2647-54. Epub 2007 May 5. PMID:17480064

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