2b07: Difference between revisions

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|PDB= 2b07 |SIZE=350|CAPTION= <scene name='initialview01'>2b07</scene>, resolution 2.1&Aring;
|PDB= 2b07 |SIZE=350|CAPTION= <scene name='initialview01'>2b07</scene>, resolution 2.1&Aring;
|SITE=  
|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>
|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]  
|ACTIVITY= <span class='plainlinks'>[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] </span>
|GENE= PTPN1, PTP1B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
|GENE= PTPN1, PTP1B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
|DOMAIN=
|RELATEDENTRY=[[2azr|2AZR]]
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2b07 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2b07 OCA], [http://www.ebi.ac.uk/pdbsum/2b07 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2b07 RCSB]</span>
}}
}}


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==Overview==
==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.
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:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=176885 176885]], Insulin resistance, susceptibility to OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=176885 176885]]


==About this Structure==
==About this Structure==
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[[Category: Xu, W X.]]
[[Category: Xu, W X.]]
[[Category: Zhang, Y L.]]
[[Category: Zhang, Y L.]]
[[Category: 598]]
[[Category: hydrolyase]]
[[Category: hydrolyase]]
[[Category: protein tyrosine phosphatase]]
[[Category: protein tyrosine phosphatase]]
[[Category: tricyclic thiophene]]
[[Category: tricyclic thiophene]]


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