2h4g: Difference between revisions

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[[Image:2h4g.gif|left|200px]]
[[Image:2h4g.gif|left|200px]]


{{Structure
<!--
|PDB= 2h4g |SIZE=350|CAPTION= <scene name='initialview01'>2h4g</scene>, resolution 2.500&Aring;
The line below this paragraph, containing "STRUCTURE_2h4g", creates the "Structure Box" on the page.
|SITE=
You may change the PDB parameter (which sets the PDB file loaded into the applet)  
|LIGAND= <scene name='pdbligand=694:4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC+ACID'>694</scene>
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
|ACTIVITY= <span class='plainlinks'>[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] </span>
or leave the SCENE parameter empty for the default display.
|GENE= PTPN1, PTP1B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
-->
|DOMAIN=
{{STRUCTURE_2h4g| PDB=2h4g  | SCENE= }}  
|RELATEDENTRY=[[2b07|2B07]], [[2azr|2AZR]], [[2h4k|2H4K]]
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2h4g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2h4g OCA], [http://www.ebi.ac.uk/pdbsum/2h4g PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2h4g RCSB]</span>
}}


'''Crystal structure of PTP1B with monocyclic thiophene inhibitor'''
'''Crystal structure of PTP1B with monocyclic thiophene inhibitor'''
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[[Category: Wan, Z K.]]
[[Category: Wan, Z K.]]
[[Category: Xu, W.]]
[[Category: Xu, W.]]
[[Category: protein-drug complex]]
[[Category: Protein-drug complex]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 05:51:22 2008''
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:25:19 2008''

Revision as of 02:51, 4 May 2008

File:2h4g.gif

Template:STRUCTURE 2h4g

Crystal structure of PTP1B with monocyclic thiophene inhibitor


Overview

A series of monocyclic thiophenes was designed and synthesized as PTP1B inhibitors. Guided by X-ray co-crystal structural information and computational modeling, rational design led to key interactions with Asp48 and improved inhibitory potency against PTP1B.

About this Structure

2H4G is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: capturing interactions with Asp48., Wan ZK, Lee J, Xu W, Erbe DV, Joseph-McCarthy D, Follows BC, Zhang YL, Bioorg Med Chem Lett. 2006 Sep 15;16(18):4941-5. Epub 2006 Jun 27. PMID:16806920 Page seeded by OCA on Sun May 4 05:51:22 2008

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