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2p3g
From Proteopedia
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|SITE= <scene name='pdbsite=AC1:F10+Binding+Site+For+Residue+X+401'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:F10+Binding+Site+For+Residue+X+401'>AC1</scene> | ||
|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> | |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> | ||
| - | |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] | + | |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> |
|GENE= MAPKAPK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= MAPKAPK2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1kwp|1KWP]], [[1ny3|1NY3]], [[1nxk|1NXK]], [[2onl|2ONL]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2p3g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2p3g OCA], [http://www.ebi.ac.uk/pdbsum/2p3g PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2p3g RCSB]</span> | ||
}} | }} | ||
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[[Category: Caspers, N.]] | [[Category: Caspers, N.]] | ||
[[Category: Kurumbail, R G.]] | [[Category: Kurumbail, R G.]] | ||
| - | [[Category: F10]] | ||
[[Category: atp-binding]] | [[Category: atp-binding]] | ||
[[Category: kinase domain]] | [[Category: kinase domain]] | ||
| Line 34: | Line 36: | ||
[[Category: transferase]] | [[Category: transferase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:28:35 2008'' |
Revision as of 01:28, 31 March 2008
| |||||||
| , resolution 3.800Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | |||||||
| Gene: | MAPKAPK2 (Homo sapiens) | ||||||
| Activity: | Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 | ||||||
| Related: | 1KWP, 1NY3, 1NXK, 2ONL
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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
Page seeded by OCA on Mon Mar 31 04:28:35 2008
