2e2b
From Proteopedia
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| - | [[Image:2e2b.jpg|left|200px]] | + | [[Image:2e2b.jpg|left|200px]] |
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| - | '''Crystal structure of the c-Abl kinase domain in complex with INNO-406''' | + | {{Structure |
| + | |PDB= 2e2b |SIZE=350|CAPTION= <scene name='initialview01'>2e2b</scene>, resolution 2.2Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=406:N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE'>406</scene> | ||
| + | |ACTIVITY= [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] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''Crystal structure of the c-Abl kinase domain in complex with INNO-406''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2E2B is a [ | + | 2E2B 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=2E2B OCA]. |
==Reference== | ==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:[http:// | + | 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:[http://www.ncbi.nlm.nih.gov/pubmed/17376680 17376680] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Non-specific protein-tyrosine kinase]] | [[Category: Non-specific protein-tyrosine kinase]] | ||
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[[Category: kinase]] | [[Category: 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 16:34:21 2008'' |
Revision as of 14:34, 20 March 2008
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| , resolution 2.2Å | |||||||
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| Ligands: | |||||||
| Activity: | Non-specific protein-tyrosine kinase, with EC number 2.7.10.2 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structure of the c-Abl kinase domain in complex with INNO-406
Contents |
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.
Disease
Known diseases associated with this structure: Leukemia, Philadelphia chromosome-positive, resistant to imatinib OMIM:[189980]
About this Structure
2E2B is a Single protein structure of sequence from Homo sapiens. 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
Page seeded by OCA on Thu Mar 20 16:34:21 2008
