1zyj: Difference between revisions
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New page: left|200px<br /> <applet load="1zyj" size="450" color="white" frame="true" align="right" spinBox="true" caption="1zyj, resolution 2.0Å" /> '''Human P38 MAP Kinase... |
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[[Image:1zyj.gif|left|200px]]<br /> | [[Image:1zyj.gif|left|200px]]<br /><applet load="1zyj" size="350" color="white" frame="true" align="right" spinBox="true" | ||
<applet load="1zyj" size=" | |||
caption="1zyj, resolution 2.0Å" /> | caption="1zyj, resolution 2.0Å" /> | ||
'''Human P38 MAP Kinase in Complex with Inhibitor 1a'''<br /> | '''Human P38 MAP Kinase in Complex with Inhibitor 1a'''<br /> | ||
==Overview== | ==Overview== | ||
Two new classes of diphenylether inhibitors of p38alpha MAP kinase are | Two new classes of diphenylether inhibitors of p38alpha MAP kinase are described. Both chemical classes are based on a common diphenylether core that is identified by simulated fragment annealing as one of the most favored chemotypes within a prominent hydrophobic pocket of the p38alpha ATP-binding site. In the fully elaborated molecules, the diphenylether moiety acts as an anchor occupying the deep pocket, while polar extensions make specific interactions with either the adenine binding site or the phosphate binding site of ATP. The synthesis, crystallographic analysis, and biological activity of these p38alpha inhibitors are discussed. | ||
==About this Structure== | ==About this Structure== | ||
1ZYJ 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 BOG and BI5 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] Full crystallographic information is available from [http:// | 1ZYJ 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=BOG:'>BOG</scene> and <scene name='pdbligand=BI5:'>BI5</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZYJ OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Karpusas, M.]] | [[Category: Karpusas, M.]] | ||
[[Category: Michelotti, E | [[Category: Michelotti, E L.]] | ||
[[Category: Springman, E | [[Category: Springman, E B.]] | ||
[[Category: BI5]] | [[Category: BI5]] | ||
[[Category: BOG]] | [[Category: BOG]] | ||
[[Category: protein-inhibitor complex]] | [[Category: protein-inhibitor complex]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:20:20 2008'' | ||
