2obj: Difference between revisions
New page: left|200px<br /> <applet load="2obj" size="450" color="white" frame="true" align="right" spinBox="true" caption="2obj, resolution 2.5Å" /> '''Crystal structure of... |
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[[Image:2obj.gif|left|200px]]<br /> | [[Image:2obj.gif|left|200px]]<br /><applet load="2obj" size="350" color="white" frame="true" align="right" spinBox="true" | ||
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caption="2obj, resolution 2.5Å" /> | caption="2obj, resolution 2.5Å" /> | ||
'''Crystal structure of human PIM-1 Kinase in complex with inhibitor'''<br /> | '''Crystal structure of human PIM-1 Kinase in complex with inhibitor'''<br /> | ||
==Overview== | ==Overview== | ||
A novel series of highly potent substituted pyridone Pim-1 kinase | A novel series of highly potent substituted pyridone Pim-1 kinase inhibitors is described. Structural requirements for in vitro activity are outlined as well as a complex crystal structure with the most potent Pim-1 inhibitor reported (IC(50)=50 nM). A hydrogen bond matrix involving the Pim-1 inhibitor, two water molecules, and the catalytic core, together with a potential weak hydrogen bond between an aromatic hydrogen on the R(1) phenyl ring and a main-chain carbonyl of Pim-1, accounts for the overall potency of this inhibitor. | ||
==About this Structure== | ==About this Structure== | ||
2OBJ 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 VRV as [http://en.wikipedia.org/wiki/ligand ligand]. 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:// | 2OBJ 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=VRV:'>VRV</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. 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=2OBJ OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Non-specific serine/threonine protein kinase]] | [[Category: Non-specific serine/threonine protein kinase]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Cheney, I | [[Category: Cheney, I W.]] | ||
[[Category: Yan, S.]] | [[Category: Yan, S.]] | ||
[[Category: Yao, N.]] | [[Category: Yao, N.]] | ||
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[[Category: serine/threonine kinase]] | [[Category: serine/threonine kinase]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:16:35 2008'' | ||
Revision as of 16:16, 21 February 2008
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Crystal structure of human PIM-1 Kinase in complex with inhibitor
Overview
A novel series of highly potent substituted pyridone Pim-1 kinase inhibitors is described. Structural requirements for in vitro activity are outlined as well as a complex crystal structure with the most potent Pim-1 inhibitor reported (IC(50)=50 nM). A hydrogen bond matrix involving the Pim-1 inhibitor, two water molecules, and the catalytic core, together with a potential weak hydrogen bond between an aromatic hydrogen on the R(1) phenyl ring and a main-chain carbonyl of Pim-1, accounts for the overall potency of this inhibitor.
About this Structure
2OBJ is a Single protein structure of sequence from Homo sapiens with VRV as ligand. Active as Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 Full crystallographic information is available from OCA.
Reference
Identification and structure-activity relationships of substituted pyridones as inhibitors of Pim-1 kinase., Cheney IW, Yan S, Appleby T, Walker H, Vo T, Yao N, Hamatake R, Hong Z, Wu JZ, Bioorg Med Chem Lett. 2007 Mar 15;17(6):1679-83. Epub 2007 Jan 4. PMID:17251021
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