1wbu
From Proteopedia
(New page: 200px<br /> <applet load="1wbu" size="450" color="white" frame="true" align="right" spinBox="true" caption="1wbu, resolution 1.9Å" /> '''FRAGMENT BASED LEAD ...) |
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==About this Structure== | ==About this Structure== | ||
| - | 1WBU is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]] with WBU 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=3.1.27.5 3.1.27.5]]. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1WBU OCA]]. | + | 1WBU is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]] with WBU as [[http://en.wikipedia.org/wiki/ligand ligand]]. Active as [[http://en.wikipedia.org/wiki/Pancreatic_ribonuclease Pancreatic ribonuclease]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.27.5 3.1.27.5]]. Structure known Active Site: AC1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1WBU OCA]]. |
==Reference== | ==Reference== | ||
Fragment-based lead discovery using X-ray crystallography., Hartshorn MJ, Murray CW, Cleasby A, Frederickson M, Tickle IJ, Jhoti H, J Med Chem. 2005 Jan 27;48(2):403-13. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15658854 15658854] | Fragment-based lead discovery using X-ray crystallography., Hartshorn MJ, Murray CW, Cleasby A, Frederickson M, Tickle IJ, Jhoti H, J Med Chem. 2005 Jan 27;48(2):403-13. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15658854 15658854] | ||
[[Category: Bos taurus]] | [[Category: Bos taurus]] | ||
| + | [[Category: Pancreatic ribonuclease]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Cleasby, A.]] | [[Category: Cleasby, A.]] | ||
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[[Category: ribonuclease]] | [[Category: ribonuclease]] | ||
| - | ''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 12:14:10 2007'' |
Revision as of 10:09, 30 October 2007
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FRAGMENT BASED LEAD DISCOVERY USING CRYSTALLOGRAPHY
Overview
Fragment screening offers an alternative to traditional screening for, discovering new leads in drug discovery programs. This paper describes a, fragment screening methodology based on high throughput X-ray, crystallography. The method is illustrated against five proteins (p38 MAP, kinase, CDK2, thrombin, ribonuclease A, and PTP1B). The fragments, identified have weak potency (>100 microM) but are efficient binders, relative to their size and may therefore represent suitable starting, points for evolution to good quality lead compounds. The examples, illustrate that a range of molecular interactions (i.e., lipophilic, charge-charge, neutral hydrogen bonds) can drive fragment binding and also, that fragments can induce protein movement. We believe that the method has, great potential ... [(full description)]
About this Structure
1WBU is a [Single protein] structure of sequence from [Bos taurus] with WBU as [ligand]. Active as [Pancreatic ribonuclease], with EC number [3.1.27.5]. Structure known Active Site: AC1. Full crystallographic information is available from [OCA].
Reference
Fragment-based lead discovery using X-ray crystallography., Hartshorn MJ, Murray CW, Cleasby A, Frederickson M, Tickle IJ, Jhoti H, J Med Chem. 2005 Jan 27;48(2):403-13. PMID:15658854
Page seeded by OCA on Tue Oct 30 12:14:10 2007
