2h4k
From Proteopedia
(New page: 200px<br /> <applet load="2h4k" size="450" color="white" frame="true" align="right" spinBox="true" caption="2h4k, resolution 2.300Å" /> '''Crystal structure ...) |
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| - | [[Image:2h4k.gif|left|200px]]<br /> | + | [[Image:2h4k.gif|left|200px]]<br /><applet load="2h4k" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="2h4k" size=" | + | |
caption="2h4k, resolution 2.300Å" /> | caption="2h4k, resolution 2.300Å" /> | ||
'''Crystal structure of PTP1B with a monocyclic thiophene inhibitor'''<br /> | '''Crystal structure of PTP1B with a monocyclic thiophene inhibitor'''<br /> | ||
==Overview== | ==Overview== | ||
| - | A series of monocyclic thiophenes was designed and synthesized as PTP1B | + | 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== | ==Disease== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2H4K 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 509 as [http://en.wikipedia.org/wiki/ligand ligand]. 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] Full crystallographic information is available from [http:// | + | 2H4K 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=509:'>509</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. 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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2H4K OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Protein-tyrosine-phosphatase]] | [[Category: Protein-tyrosine-phosphatase]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| - | [[Category: Wan, Z | + | [[Category: Wan, Z K.]] |
[[Category: Xu, W.]] | [[Category: Xu, W.]] | ||
[[Category: 509]] | [[Category: 509]] | ||
[[Category: protein-drug complex structure]] | [[Category: protein-drug complex structure]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:38:09 2008'' |
Revision as of 15:38, 21 February 2008
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Crystal structure of PTP1B with a 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
2H4K is a Single protein structure of sequence from Homo sapiens with as ligand. Active as Protein-tyrosine-phosphatase, with EC number 3.1.3.48 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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