2b07: Difference between revisions
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|PDB= 2b07 |SIZE=350|CAPTION= <scene name='initialview01'>2b07</scene>, resolution 2.1Å | |PDB= 2b07 |SIZE=350|CAPTION= <scene name='initialview01'>2b07</scene>, resolution 2.1Å | ||
|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. | ||
==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: hydrolyase]] | [[Category: hydrolyase]] | ||
[[Category: protein tyrosine phosphatase]] | [[Category: protein tyrosine phosphatase]] | ||
[[Category: tricyclic thiophene]] | [[Category: tricyclic thiophene]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:59:43 2008'' | ||
Revision as of 22:59, 30 March 2008
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| 2b07, resolution 2.1Å | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ligands: | 598 | ||||||||||||
| Gene: | PTPN1, PTP1B (Homo sapiens) | ||||||||||||
| Activity: | Protein-tyrosine-phosphatase, with EC number 3.1.3.48 | ||||||||||||
| Related: | 2AZR
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
Crystal structure of PTP1B with Tricyclic Thiophene inhibitor.
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.
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 Mon Mar 31 01:59:43 2008
Proteopedia Page Contributors and Editors (what is this?)
Categories:
- Pages with broken file links
- 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.
- Hydrolyase
- Protein tyrosine phosphatase
- Tricyclic thiophene
