2h4k

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[[Image:2h4k.gif|left|200px]]
[[Image:2h4k.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2h4k |SIZE=350|CAPTION= <scene name='initialview01'>2h4k</scene>, resolution 2.300&Aring;
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The line below this paragraph, containing "STRUCTURE_2h4k", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=509:4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC+ACID'>509</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|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>
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or leave the SCENE parameter empty for the default display.
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|GENE= PTPN1, PTP1B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_2h4k| PDB=2h4k | SCENE= }}
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|RELATEDENTRY=[[2azr|2AZR]], [[2b07|2B07]], [[2h4g|2H4G]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2h4k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2h4k OCA], [http://www.ebi.ac.uk/pdbsum/2h4k PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2h4k RCSB]</span>
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}}
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'''Crystal structure of PTP1B with a monocyclic thiophene inhibitor'''
'''Crystal structure of PTP1B with a monocyclic thiophene inhibitor'''
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[[Category: Wan, Z K.]]
[[Category: Wan, Z K.]]
[[Category: Xu, W.]]
[[Category: Xu, W.]]
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[[Category: protein-drug complex structure]]
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[[Category: Protein-drug complex structure]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 05:51:33 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:25:21 2008''
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Revision as of 02:51, 4 May 2008

Image:2h4k.gif

Template:STRUCTURE 2h4k

Crystal structure of PTP1B with a 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

2H4K 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 05:51:33 2008

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OCA

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