2ok1: Difference between revisions
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[[Image:2ok1.gif|left|200px]] | [[Image:2ok1.gif|left|200px]] | ||
'''Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide''' | {{Structure | ||
|PDB= 2ok1 |SIZE=350|CAPTION= <scene name='initialview01'>2ok1</scene>, resolution 2.400Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=33A:N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE'>33A</scene> | |||
|ACTIVITY= [http://en.wikipedia.org/wiki/Mitogen-activated_protein_kinase Mitogen-activated protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.24 2.7.11.24] | |||
|GENE= MAPK10, JNK3, JNK3A, PRKM10 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |||
}} | |||
'''Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2OK1 is a [ | 2OK1 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=2OK1 OCA]. | ||
==Reference== | ==Reference== | ||
Flipped out: structure-guided design of selective pyrazolylpyrrole ERK inhibitors., Aronov AM, Baker C, Bemis GW, Cao J, Chen G, Ford PJ, Germann UA, Green J, Hale MR, Jacobs M, Janetka JW, Maltais F, Martinez-Botella G, Namchuk MN, Straub J, Tang Q, Xie X, J Med Chem. 2007 Mar 22;50(6):1280-7. Epub 2007 Feb 15. PMID:[http:// | Flipped out: structure-guided design of selective pyrazolylpyrrole ERK inhibitors., Aronov AM, Baker C, Bemis GW, Cao J, Chen G, Ford PJ, Germann UA, Green J, Hale MR, Jacobs M, Janetka JW, Maltais F, Martinez-Botella G, Namchuk MN, Straub J, Tang Q, Xie X, J Med Chem. 2007 Mar 22;50(6):1280-7. Epub 2007 Feb 15. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17300186 17300186] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Mitogen-activated protein kinase]] | [[Category: Mitogen-activated protein kinase]] | ||
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[[Category: kinase inhibitor]] | [[Category: kinase inhibitor]] | ||
''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 18:00:41 2008'' | ||
Revision as of 16:00, 20 March 2008
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| 2ok1, resolution 2.400Å | |||||||||||||
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| Ligands: | 33A | ||||||||||||
| Gene: | MAPK10, JNK3, JNK3A, PRKM10 (Homo sapiens) | ||||||||||||
| Activity: | Mitogen-activated protein kinase, with EC number 2.7.11.24 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Overview
The Ras/Raf/MEK/ERK signal transduction is a key oncogenic pathway implicated in a variety of human cancers. We have identified a novel series of pyrazolylpyrroles as inhibitors of ERK. Aided by the discovery of two distinct binding modes for the pyrazolylpyrrole scaffold, structure-guided optimization culminated in the discovery of 6p, a potent and selective inhibitor of ERK.
Disease
Known diseases associated with this structure: Epileptic encephalopathy, Lennox-Gastaut type OMIM:[602897]
About this Structure
2OK1 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Flipped out: structure-guided design of selective pyrazolylpyrrole ERK inhibitors., Aronov AM, Baker C, Bemis GW, Cao J, Chen G, Ford PJ, Germann UA, Green J, Hale MR, Jacobs M, Janetka JW, Maltais F, Martinez-Botella G, Namchuk MN, Straub J, Tang Q, Xie X, J Med Chem. 2007 Mar 22;50(6):1280-7. Epub 2007 Feb 15. PMID:17300186
Page seeded by OCA on Thu Mar 20 18:00:41 2008
