1q1m: Difference between revisions
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==Overview== | ==Overview== | ||
Using an NMR-based fragment screening and X-ray crystal structure-based | Using an NMR-based fragment screening and X-ray crystal structure-based assembly, starting with millimolar ligands for both the catalytic site and the second phosphotyrosine binding site, we have identified a small-molecule inhibitor of protein tyrosine phosphatase 1B with low micromolar inhibition constant, high selectivity (30-fold) over the highly homologous T-cell protein tyrosine phosphatase, and good cellular activity in COS-7 cells. | ||
==Disease== | ==Disease== | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Abad-Zapatero, C.]] | [[Category: Abad-Zapatero, C.]] | ||
[[Category: Ballaron, S | [[Category: Ballaron, S J.]] | ||
[[Category: Haasch, D | [[Category: Haasch, D L.]] | ||
[[Category: Hajduk, P | [[Category: Hajduk, P J.]] | ||
[[Category: Hutchins, C | [[Category: Hutchins, C W.]] | ||
[[Category: Jirousek, M | [[Category: Jirousek, M R.]] | ||
[[Category: Kaszubska, W.]] | [[Category: Kaszubska, W.]] | ||
[[Category: Liu, G.]] | [[Category: Liu, G.]] | ||
[[Category: Lubben, T | [[Category: Lubben, T H.]] | ||
[[Category: Pei, Z.]] | [[Category: Pei, Z.]] | ||
[[Category: Rondinone, C | [[Category: Rondinone, C M.]] | ||
[[Category: Trevillyan, J | [[Category: Trevillyan, J M.]] | ||
[[Category: Xin, Z.]] | [[Category: Xin, Z.]] | ||
[[Category: Zhao, H.]] | [[Category: Zhao, H.]] | ||
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[[Category: ptp1b]] | [[Category: ptp1b]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:34:57 2008'' | ||
Revision as of 12:34, 21 February 2008
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A Highly Efficient Approach to a Selective and Cell Active PTP1B inhibitors
Overview
Using an NMR-based fragment screening and X-ray crystal structure-based assembly, starting with millimolar ligands for both the catalytic site and the second phosphotyrosine binding site, we have identified a small-molecule inhibitor of protein tyrosine phosphatase 1B with low micromolar inhibition constant, high selectivity (30-fold) over the highly homologous T-cell protein tyrosine phosphatase, and good cellular activity in COS-7 cells.
Disease
Known diseases associated with this structure: Abdominal body fat distribution, modifier of OMIM:[176885], Insulin resistance, susceptibility to OMIM:[176885]
About this Structure
1Q1M is a Single protein structure of sequence from Homo sapiens with 234 as ligand. Active as Protein-tyrosine-phosphatase, with EC number 3.1.3.48 Full crystallographic information is available from OCA.
Reference
Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor., Liu G, Xin Z, Pei Z, Hajduk PJ, Abad-Zapatero C, Hutchins CW, Zhao H, Lubben TH, Ballaron SJ, Haasch DL, Kaszubska W, Rondinone CM, Trevillyan JM, Jirousek MR, J Med Chem. 2003 Sep 25;46(20):4232-5. PMID:13678400
Page seeded by OCA on Thu Feb 21 14:34:57 2008
Proteopedia Page Contributors and Editors (what is this?)
- Pages with broken file links
- Homo sapiens
- Protein-tyrosine-phosphatase
- Single protein
- Abad-Zapatero, C.
- Ballaron, S J.
- Haasch, D L.
- Hajduk, P J.
- Hutchins, C W.
- Jirousek, M R.
- Kaszubska, W.
- Liu, G.
- Lubben, T H.
- Pei, Z.
- Rondinone, C M.
- Trevillyan, J M.
- Xin, Z.
- Zhao, H.
- 234
- Inhibitors with isoxazole-salicylate pharmacophores
- Protein tyrosine phosphatase 1b
- Ptp1b
