2b07
From Proteopedia
(New page: 200px<br /> <applet load="2b07" size="450" color="white" frame="true" align="right" spinBox="true" caption="2b07, resolution 2.1Å" /> '''Crystal structure of...) |
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| - | [[Image:2b07.gif|left|200px]]<br /> | + | [[Image:2b07.gif|left|200px]]<br /><applet load="2b07" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="2b07" size=" | + | |
caption="2b07, resolution 2.1Å" /> | caption="2b07, resolution 2.1Å" /> | ||
'''Crystal structure of PTP1B with Tricyclic Thiophene inhibitor.'''<br /> | '''Crystal structure of PTP1B with Tricyclic Thiophene inhibitor.'''<br /> | ||
==Overview== | ==Overview== | ||
| - | A novel pyridothiophene inhibitor of PTP1B was discovered by rational | + | A novel pyridothiophene inhibitor of PTP1B was discovered by rational screening of phosphotyrosine mimics at high micromolar concentrations. The potency of this lead compound has been improved significantly by medicinal chemistry guided by X-ray crystallography and molecular modeling. Excellent consistency has been observed between structure-activity relationships and structural information from PTP1B-inhibitor complexes. |
==Disease== | ==Disease== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2B07 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 598 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:// | + | 2B07 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=598:'>598</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=2B07 OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Binnun, E.]] | [[Category: Binnun, E.]] | ||
| - | [[Category: Erbe, D | + | [[Category: Erbe, D V.]] |
| - | [[Category: Follows, B | + | [[Category: Follows, B C.]] |
[[Category: Foreman, K.]] | [[Category: Foreman, K.]] | ||
[[Category: Joseph-McCarthy, D.]] | [[Category: Joseph-McCarthy, D.]] | ||
| - | [[Category: Kirincich, S | + | [[Category: Kirincich, S J.]] |
[[Category: Lee, J.]] | [[Category: Lee, J.]] | ||
| - | [[Category: Moretto, A | + | [[Category: Moretto, A F.]] |
| - | [[Category: Smith, M | + | [[Category: Smith, M J.]] |
| - | [[Category: Tam, S | + | [[Category: Tam, S K.]] |
| - | [[Category: Tam, S | + | [[Category: Tam, S Y.]] |
| - | [[Category: Wan, Z | + | [[Category: Wan, Z K.]] |
| - | [[Category: Wilson, D | + | [[Category: Wilson, D P.]] |
| - | [[Category: Xu, W | + | [[Category: Xu, W X.]] |
| - | [[Category: Zhang, Y | + | [[Category: Zhang, Y L.]] |
[[Category: 598]] | [[Category: 598]] | ||
[[Category: hydrolyase]] | [[Category: hydrolyase]] | ||
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[[Category: tricyclic thiophenes]] | [[Category: tricyclic thiophenes]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:32:53 2008'' |
Revision as of 14:32, 21 February 2008
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Crystal structure of PTP1B with Tricyclic Thiophene inhibitor.
Contents |
Overview
A novel pyridothiophene inhibitor of PTP1B was discovered by rational screening of phosphotyrosine mimics at high micromolar concentrations. The potency of this lead compound has been improved significantly by medicinal chemistry guided by X-ray crystallography and molecular modeling. Excellent consistency has been observed between structure-activity relationships and structural information from PTP1B-inhibitor complexes.
Disease
Known diseases associated with this structure: Abdominal body fat distribution, modifier of OMIM:[176885], Insulin resistance, susceptibility to OMIM:[176885]
About this Structure
2B07 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
Bicyclic and tricyclic thiophenes as protein tyrosine phosphatase 1B inhibitors., Moretto AF, Kirincich SJ, Xu WX, Smith MJ, Wan ZK, Wilson DP, Follows BC, Binnun E, Joseph-McCarthy D, Foreman K, Erbe DV, Zhang YL, Tam SK, Tam SY, Lee J, Bioorg Med Chem. 2006 Apr 1;14(7):2162-77. Epub 2005 Nov 21. PMID:16303309
Page seeded by OCA on Thu Feb 21 16:32:53 2008
Categories: Homo sapiens | Protein-tyrosine-phosphatase | Single protein | Binnun, E. | Erbe, D V. | Follows, B C. | Foreman, K. | Joseph-McCarthy, D. | Kirincich, S J. | Lee, J. | Moretto, A F. | Smith, M J. | Tam, S K. | Tam, S Y. | Wan, Z K. | Wilson, D P. | Xu, W X. | Zhang, Y L. | 598 | Hydrolyase | Protein tyrosine phosphatase | Tricyclic thiophenes
