2ok1
From Proteopedia
(New page: 200px<br /> <applet load="2ok1" size="450" color="white" frame="true" align="right" spinBox="true" caption="2ok1, resolution 2.400Å" /> '''Crystal structure ...) |
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| - | [[Image:2ok1.gif|left|200px]]<br /> | + | [[Image:2ok1.gif|left|200px]]<br /><applet load="2ok1" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="2ok1" size=" | + | |
caption="2ok1, resolution 2.400Å" /> | caption="2ok1, resolution 2.400Å" /> | ||
'''Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide'''<br /> | '''Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The Ras/Raf/MEK/ERK signal transduction is a key oncogenic pathway | + | 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== | ==Disease== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2OK1 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 33A as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http:// | + | 2OK1 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=33A:'>33A</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OK1 OCA]. |
==Reference== | ==Reference== | ||
| - | Flipped | + | 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://ispc.weizmann.ac.il//pmbin/getpm?pmid=17300186 17300186] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Mitogen-activated protein kinase]] | [[Category: Mitogen-activated protein kinase]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| - | [[Category: Jacobs, M | + | [[Category: Jacobs, M D.]] |
[[Category: Xie, X.]] | [[Category: Xie, X.]] | ||
[[Category: 33A]] | [[Category: 33A]] | ||
[[Category: kinase inhibitor]] | [[Category: kinase inhibitor]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:19:26 2008'' |
Revision as of 16:19, 21 February 2008
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Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Contents |
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 with as ligand. Active as Mitogen-activated protein kinase, with EC number 2.7.11.24 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 Feb 21 18:19:26 2008
