1q1m
From Proteopedia
| |||||||
| , resolution 2.60Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Gene: | PTPN1 OR PTP1B (Homo sapiens) | ||||||
| Activity: | Protein-tyrosine-phosphatase, with EC number 3.1.3.48 | ||||||
| Related: | 1NL9, 1NNY, 1NO6, 1NZ7, 1ONY, 1PHO
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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.
About this Structure
1Q1M is a Single protein structure of sequence from Homo sapiens. 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 Sun Mar 30 23:07:37 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. | Inhibitors with isoxazole-salicylate pharmacophore | Protein tyrosine phosphatase 1b | Ptp1b
