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2hb1

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(New page: 200px<br /> <applet load="2hb1" size="450" color="white" frame="true" align="right" spinBox="true" caption="2hb1, resolution 2.0&Aring;" /> '''Crystal Structure of...)
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[[Image:2hb1.gif|left|200px]]<br />
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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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<applet load="2hb1" size="450" color="white" frame="true" align="right" spinBox="true"
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caption="2hb1, resolution 2.0&Aring;" />
caption="2hb1, resolution 2.0&Aring;" />
'''Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor'''<br />
'''Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor'''<br />
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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 512 as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2HB1 OCA].
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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].
==Reference==
==Reference==
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[[Category: protein-inhibitor complex]]
[[Category: protein-inhibitor complex]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 22:29:26 2007''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 17:31:01 2008''

Revision as of 15:31, 15 February 2008


2hb1, resolution 2.0Å

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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 with as ligand. 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

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