2hb1

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[[Image:2hb1.gif|left|200px]]<br /><applet load="2hb1" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2hb1.gif|left|200px]]
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caption="2hb1, resolution 2.0&Aring;" />
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'''Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor'''<br />
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{{Structure
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|PDB= 2hb1 |SIZE=350|CAPTION= <scene name='initialview01'>2hb1</scene>, resolution 2.0&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=512:4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID'>512</scene>
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|ACTIVITY=
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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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'''Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2HB1 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=512:'>512</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2HB1 OCA].
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2HB1 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2HB1 OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16806920 16806920]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/16806920 16806920]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: protein-inhibitor complex]]
[[Category: protein-inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:39:59 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:14:51 2008''

Revision as of 15:14, 20 March 2008

Image:2hb1.gif


PDB ID 2hb1

Drag the structure with the mouse to rotate
, resolution 2.0Å
Ligands:
Gene: PTPN1, PTP1B (Homo sapiens)
Coordinates: save as pdb, mmCIF, xml



Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor


Contents

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.

Disease

Known diseases associated with this structure: Abdominal body fat distribution, modifier of OMIM:[176885], Insulin resistance, susceptibility to OMIM:[176885]

About this Structure

2HB1 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 Thu Mar 20 17:14:51 2008

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