1wbw
From Proteopedia
(New page: 200px<br /> <applet load="1wbw" size="450" color="white" frame="true" align="right" spinBox="true" caption="1wbw, resolution 2.41Å" /> '''IDENTIFICATION OF N...) |
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==About this Structure== | ==About this Structure== | ||
| - | 1WBW 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 LI4 as [[http://en.wikipedia.org/wiki/ligand ligand]]. Active as [[http://en.wikipedia.org/wiki/ ]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.37 2.7.1.37]]. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1WBW OCA]]. | + | 1WBW 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 LI4 as [[http://en.wikipedia.org/wiki/ligand ligand]]. Active as [[http://en.wikipedia.org/wiki/Transferred_entry:_2.7.11.1 Transferred entry: 2.7.11.1]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.37 2.7.1.37]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1WBW OCA]]. |
==Reference== | ==Reference== | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| + | [[Category: Transferred entry: 2.7.11.1]] | ||
[[Category: Cleasby, A.]] | [[Category: Cleasby, A.]] | ||
[[Category: Devine, L.A.]] | [[Category: Devine, L.A.]] | ||
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[[Category: transferase]] | [[Category: transferase]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 12:13:49 2007'' |
Revision as of 10:09, 30 October 2007
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IDENTIFICATION OF NOVEL P38 ALPHA MAP KINASE INHIBITORS USING FRAGMENT-BASED LEAD GENERATION.
Overview
We describe the structure-guided optimization of the molecular fragments, 2-amino-3-benzyloxypyridine 1 (IC(50) 1.3 mM) and, 3-(2-(4-pyridyl)ethyl)indole 2 (IC(50) 35 microM) identified using X-ray, crystallographic screening of p38alpha MAP kinase. Using two separate case, studies, the article focuses on the key compounds synthesized, the, structure-activity relationships and the binding mode observations made, during this optimization process, resulting in two potent lead series that, demonstrate significant increases in activity. We describe the process of, compound elaboration either through the growing out from fragments into, adjacent pockets or through the conjoining of overlapping fragments and, demonstrate that we have exploited the mobile conserved activation loop, consisting in ... [(full description)]
About this Structure
1WBW is a [Single protein] structure of sequence from [Homo sapiens] with LI4 as [ligand]. Active as [Transferred entry: 2.7.11.1], with EC number [2.7.1.37]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
Reference
Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation., Gill AL, Frederickson M, Cleasby A, Woodhead SJ, Carr MG, Woodhead AJ, Walker MT, Congreve MS, Devine LA, Tisi D, O'Reilly M, Seavers LC, Davis DJ, Curry J, Anthony R, Padova A, Murray CW, Carr RA, Jhoti H, J Med Chem. 2005 Jan 27;48(2):414-26. PMID:15658855
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