1wax
From Proteopedia
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| - | [[Image:1wax.gif|left|200px]]<br /><applet load="1wax" size=" | + | [[Image:1wax.gif|left|200px]]<br /><applet load="1wax" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1wax, resolution 2.20Å" /> | caption="1wax, resolution 2.20Å" /> | ||
'''PROTEIN TYROSINE PHOSPHATASE 1B WITH ACTIVE SITE INHIBITOR'''<br /> | '''PROTEIN TYROSINE PHOSPHATASE 1B WITH ACTIVE SITE INHIBITOR'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1WAX 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 MG and LO1 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] Known structural/functional Site: <scene name='pdbsite=AC1:Lo1 Binding Site For Chain A'>AC1</scene>. Full crystallographic information is available from [http:// | + | 1WAX 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=MG:'>MG</scene> and <scene name='pdbligand=LO1:'>LO1</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] Known structural/functional Site: <scene name='pdbsite=AC1:Lo1+Binding+Site+For+Chain+A'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1WAX OCA]. |
==Reference== | ==Reference== | ||
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[[Category: protein tyrosine phosphatase]] | [[Category: protein tyrosine phosphatase]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Feb 3 10:21:14 2008'' |
Revision as of 08:21, 3 February 2008
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PROTEIN TYROSINE PHOSPHATASE 1B WITH ACTIVE SITE INHIBITOR
Contents |
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 for the discovery of novel lead compounds against a range, of targets, and the companion paper illustrates how lead compounds have, been identified for p38 MAP kinase starting from fragments such as those, described in this paper.
Disease
Known diseases associated with this structure: Abdominal body fat distribution, modifier of OMIM:[176885], Insulin resistance, susceptibility to OMIM:[176885]
About this Structure
1WAX is a Single protein structure of sequence from Homo sapiens with and as ligands. Active as Protein-tyrosine-phosphatase, with EC number 3.1.3.48 Known structural/functional Site: . 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
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