Allosteric inhibition of protein tyrosine phosphatase 1B

Nat Struct Mol Biol. 2004 Aug;11(8):730-7. doi: 10.1038/nsmb803. Epub 2004 Jul 18.

Abstract

Obesity and type II diabetes are closely linked metabolic syndromes that afflict >100 million people worldwide. Although protein tyrosine phosphatase 1B (PTP1B) has emerged as a promising target for the treatment of both syndromes, the discovery of pharmaceutically acceptable inhibitors that bind at the active site remains a substantial challenge. Here we describe the discovery of an allosteric site in PTP1B. Crystal structures of PTP1B in complex with allosteric inhibitors reveal a novel site located approximately 20 A from the catalytic site. We show that allosteric inhibitors prevent formation of the active form of the enzyme by blocking mobility of the catalytic loop, thereby exploiting a general mechanism used by tyrosine phosphatases. Notably, these inhibitors exhibit selectivity for PTP1B and enhance insulin signaling in cells. Allosteric inhibition is a promising strategy for targeting PTP1B and constitutes a mechanism that may be applicable to other tyrosine phosphatases.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Allosteric Site
  • Animals
  • Binding Sites
  • Binding, Competitive
  • CHO Cells
  • Catalysis
  • Catalytic Domain
  • Cloning, Molecular
  • Cricetinae
  • Crystallography, X-Ray
  • DNA / chemistry
  • Dose-Response Relationship, Drug
  • Humans
  • Inhibitory Concentration 50
  • Kinetics
  • Ligands
  • Models, Chemical
  • Models, Molecular
  • Obesity
  • Phosphoric Monoester Hydrolases / chemistry
  • Protein Binding
  • Protein Conformation
  • Protein Structure, Tertiary
  • Protein Tyrosine Phosphatase, Non-Receptor Type 1
  • Protein Tyrosine Phosphatases / chemistry*
  • Time Factors
  • Transfection
  • Tyrosine / chemistry

Substances

  • Ligands
  • Tyrosine
  • DNA
  • Phosphoric Monoester Hydrolases
  • PTPN1 protein, human
  • Protein Tyrosine Phosphatase, Non-Receptor Type 1
  • Protein Tyrosine Phosphatases

Associated data

  • PDB/1JF7
  • PDB/1NL9
  • PDB/1NNY
  • PDB/1NO6
  • PDB/1NW1
  • PDB/1NZ7
  • PDB/1OEM
  • PDB/1OEO
  • PDB/1OES
  • PDB/1OET
  • PDB/1OEU
  • PDB/1OEV
  • PDB/1ONY
  • PDB/1ONZ
  • PDB/1PYN
  • PDB/1T48
  • PDB/1T49
  • PDB/1T4J
  • PDB/2HNP