1q1m
From Proteopedia
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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
|
A Highly Efficient Approach to a Selective and Cell Active PTP1B inhibitors
Contents |
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 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
Categories: 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
