1pmn: Difference between revisions
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'''Crystal structure of JNK3 in complex with an imidazole-pyrimidine inhibitor''' | {{Structure | ||
|PDB= 1pmn |SIZE=350|CAPTION= <scene name='initialview01'>1pmn</scene>, resolution 2.2Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=984:CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE'>984</scene> | |||
|ACTIVITY= | |||
|GENE= MK10_HUMAN ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |||
}} | |||
'''Crystal structure of JNK3 in complex with an imidazole-pyrimidine inhibitor''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
1PMN is a [ | 1PMN 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=1PMN OCA]. | ||
==Reference== | ==Reference== | ||
The structure of JNK3 in complex with small molecule inhibitors: structural basis for potency and selectivity., Scapin G, Patel SB, Lisnock J, Becker JW, LoGrasso PV, Chem Biol. 2003 Aug;10(8):705-12. PMID:[http:// | The structure of JNK3 in complex with small molecule inhibitors: structural basis for potency and selectivity., Scapin G, Patel SB, Lisnock J, Becker JW, LoGrasso PV, Chem Biol. 2003 Aug;10(8):705-12. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12954329 12954329] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: map kinase]] | [[Category: map kinase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:26:16 2008'' | ||
Revision as of 14:26, 20 March 2008
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| , resolution 2.2Å | |||||||
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| Ligands: | |||||||
| Gene: | MK10_HUMAN (Homo sapiens) | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structure of JNK3 in complex with an imidazole-pyrimidine inhibitor
OverviewOverview
The c-Jun terminal kinases (JNKs) are members of the mitogen-activated protein (MAP) kinase family and regulate signal transduction in response to environmental stress. Activation of JNK3, a neuronal-specific isoform, has been associated with neurological damage, and as such, JNK3 may represent an attractive target for the treatment of neurological disorders. The MAP kinases share between 50% and 80% sequence identity. In order to obtain efficacious and safe compounds, it is necessary to address the issues of potency and selectivity. We report here four crystal structures of JNK3 in complex with three different classes of inhibitors. These structures provide a clear picture of the interactions that each class of compound made with the kinase. Knowledge of the atomic interactions involved in these diverse binding modes provides a platform for structure-guided modification of these compounds, or the de novo design of novel inhibitors that could satisfy the need for potency and selectivity.
DiseaseDisease
Known diseases associated with this structure: Epileptic encephalopathy, Lennox-Gastaut type OMIM:[602897]
About this StructureAbout this Structure
1PMN is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
ReferenceReference
The structure of JNK3 in complex with small molecule inhibitors: structural basis for potency and selectivity., Scapin G, Patel SB, Lisnock J, Becker JW, LoGrasso PV, Chem Biol. 2003 Aug;10(8):705-12. PMID:12954329
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