2b07

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
-
[[Image:2b07.gif|left|200px]]<br /><applet load="2b07" size="350" color="white" frame="true" align="right" spinBox="true"
+
[[Image:2b07.gif|left|200px]]
-
caption="2b07, resolution 2.1&Aring;" />
+
 
-
'''Crystal structure of PTP1B with Tricyclic Thiophene inhibitor.'''<br />
+
{{Structure
 +
|PDB= 2b07 |SIZE=350|CAPTION= <scene name='initialview01'>2b07</scene>, resolution 2.1&Aring;
 +
|SITE=
 +
|LIGAND= <scene name='pdbligand=598:6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID'>598</scene>
 +
|ACTIVITY= [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]
 +
|GENE= PTPN1, PTP1B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
 +
}}
 +
 
 +
'''Crystal structure of PTP1B with Tricyclic Thiophene inhibitor.'''
 +
 
==Overview==
==Overview==
Line 10: Line 19:
==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 <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].
+
2B07 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=2B07 OCA].
==Reference==
==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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16303309 16303309]
+
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:[http://www.ncbi.nlm.nih.gov/pubmed/16303309 16303309]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Protein-tyrosine-phosphatase]]
[[Category: Protein-tyrosine-phosphatase]]
Line 35: Line 44:
[[Category: hydrolyase]]
[[Category: hydrolyase]]
[[Category: protein tyrosine phosphatase]]
[[Category: protein tyrosine phosphatase]]
-
[[Category: tricyclic thiophenes]]
+
[[Category: tricyclic thiophene]]
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:32:53 2008''
+
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:56:01 2008''

Revision as of 13:56, 20 March 2008

Image:2b07.gif


PDB ID 2b07

Drag the structure with the mouse to rotate
, resolution 2.1Å
Ligands:
Gene: PTPN1, PTP1B (Homo sapiens)
Activity: Protein-tyrosine-phosphatase, with EC number 3.1.3.48
Coordinates: save as pdb, mmCIF, xml



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. 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 Mar 20 15:56:01 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2b07"
Personal tools