2e2b
From Proteopedia
(New page: 200px<br /> <applet load="2e2b" size="450" color="white" frame="true" align="right" spinBox="true" caption="2e2b, resolution 2.2Å" /> '''Crystal structure of...) |
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| - | [[Image:2e2b. | + | [[Image:2e2b.jpg|left|200px]]<br /><applet load="2e2b" size="350" color="white" frame="true" align="right" spinBox="true" |
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caption="2e2b, resolution 2.2Å" /> | caption="2e2b, resolution 2.2Å" /> | ||
'''Crystal structure of the c-Abl kinase domain in complex with INNO-406'''<br /> | '''Crystal structure of the c-Abl kinase domain in complex with INNO-406'''<br /> | ||
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==Overview== | ==Overview== | ||
To investigate why 3-substituted benzamide derivatives show dual, inhibition of Abl and Lyn protein tyrosine kinases, we determined their, inhibitory activities against Abl and Lyn, carried out molecular modeling, and conducted a structure-activity relationship study with the aid of a, newly determined X-ray structure of the Abl/Lyn dual inhibitor INNO-406, (formerly known as NS-187) bound to human Abl. We found that this series, of compounds interacted with both kinases in very similar ways, so that, they can inhibit both kinases effectively. | To investigate why 3-substituted benzamide derivatives show dual, inhibition of Abl and Lyn protein tyrosine kinases, we determined their, inhibitory activities against Abl and Lyn, carried out molecular modeling, and conducted a structure-activity relationship study with the aid of a, newly determined X-ray structure of the Abl/Lyn dual inhibitor INNO-406, (formerly known as NS-187) bound to human Abl. We found that this series, of compounds interacted with both kinases in very similar ways, so that, they can inhibit both kinases effectively. | ||
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| - | ==Disease== | ||
| - | Known diseases associated with this structure: Leukemia, Philadelphia chromosome-positive, resistant to imatinib OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=189980 189980]] | ||
==About this Structure== | ==About this Structure== | ||
| - | 2E2B 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 406 as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] Full crystallographic information is available from [http:// | + | 2E2B 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=406:'>406</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Non-specific_protein-tyrosine_kinase Non-specific protein-tyrosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.2 2.7.10.2] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2E2B OCA]. |
==Reference== | ==Reference== | ||
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[[Category: kinase]] | [[Category: kinase]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 15:10:49 2008'' |
Revision as of 13:10, 23 January 2008
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Crystal structure of the c-Abl kinase domain in complex with INNO-406
Overview
To investigate why 3-substituted benzamide derivatives show dual, inhibition of Abl and Lyn protein tyrosine kinases, we determined their, inhibitory activities against Abl and Lyn, carried out molecular modeling, and conducted a structure-activity relationship study with the aid of a, newly determined X-ray structure of the Abl/Lyn dual inhibitor INNO-406, (formerly known as NS-187) bound to human Abl. We found that this series, of compounds interacted with both kinases in very similar ways, so that, they can inhibit both kinases effectively.
About this Structure
2E2B is a Single protein structure of sequence from Homo sapiens with as ligand. Active as Non-specific protein-tyrosine kinase, with EC number 2.7.10.2 Full crystallographic information is available from OCA.
Reference
Structural factors contributing to the Abl/Lyn dual inhibitory activity of 3-substituted benzamide derivatives., Horio T, Hamasaki T, Inoue T, Wakayama T, Itou S, Naito H, Asaki T, Hayase H, Niwa T, Bioorg Med Chem Lett. 2007 May 15;17(10):2712-7. Epub 2007 Mar 3. PMID:17376680
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