125
Views
34
CrossRef citations to date
0
Altmetric
Original Research

Druggability analysis and classification of protein tyrosine phosphatase active sites

, , , &
Pages 3197-3209 | Published online: 30 Sep 2016

References

  • HunterTSignaling – 2000 and beyondCell2000100111312710647936
  • GurzovENStanleyWJBrodnickiTCThomasHEProtein tyrosine phosphatases: molecular switches in metabolism and diabetesTrends Endocrinol Metabol20152613039
  • van HuijsduijnenRHBombrunASwinnenDSelecting protein tyrosine phosphatases as drug targetsDrug Discov Today20027191013101912546919
  • TautzLMustelinTStrategies for developing protein tyrosine phosphatase inhibitorsMethods200742325026017532512
  • BialyLWaldmannHInhibitors of protein tyrosine phosphatases: next-generation drugs?Angew Chem Int Ed Engl200544253814383915900534
  • LeeHYiJSLawanAMinKBennettAMMining the function of protein tyrosine phosphatases in health and diseaseSemin Cell Dev Biol201537667225263013
  • ElcheblyMPayettePMichaliszynEIncreased insulin sensitivity and obesity resistance in mice lacking the protein tyrosine phosphatase-1B geneScience199928354071544154810066179
  • KlamanLDBossOPeroniODIncreased energy expenditure, decreased adiposity, and tissue-specific insulin sensitivity in protein-tyrosine phosphatase 1B-deficient miceMol Cell Biol200020155479548910891488
  • CombsAPRecent advances in the discovery of competitive protein tyrosine phosphatase 1B inhibitors for the treatment of diabetes, obesity, and cancerJ Med Chem20105362333234420000419
  • HeRJYuZHZhangRYZhangZYProtein tyrosine phosphatases as potential therapeutic targetsActa Pharmacol Sin201435101227124625220640
  • HeRZengLFHeYZhangSZhangZYSmall molecule tools for functional interrogation of protein tyrosine phosphatasesFEBS J2013280273175022816879
  • Schrödinger LLCSiteMap 3.2PortlandSchrödinger, LLC Available from: http://www.schrodinger.com/
  • VidlerLRBrownNKnappSHoelderSDruggability analysis and structural classification of bromodomain acetyl-lysine binding sitesJ Med Chem201255177346735922788793
  • GhattasMAMansourRAAtatrehNBryceRAAnalysis of enoyl-acyl carrier protein reductase structure and interactions yields an efficient virtual screening approach and suggests a potential allosteric siteChem Biol Drug Des201687113114226259619
  • RCSBProtein Data Bank2015 Available from: http://www.pdb.org/Accessed December 15, 2015
  • Chemical Computing GroupMolecular Operating EnvironmentMontreal, CanadaChemical Computing Group2015 Available from: http://www.chemcomp.com
  • Chemical Computing GroupMolecular Operating Environment (MOE), Manual Version 2015.09Montreal, CanadaChemical Computing Group2015 Available from: http://www.chemcomp.com
  • Schrödinger LLCMaestro 9.9.013PortlandSchrödinger, LLC Available from: http://www.schrodinger.com/
  • HopkinsALGroomCRThe druggable genomeNat Rev Drug Discov20021972773012209152
  • CarlsonHAProtein flexibility and drug design: how to hit a moving targetCurr Opin Chem Biol20026444745212133719
  • StuckeyJASchubertHLFaumanEBZhangZYDixonJESaperMACrystal structure of Yersinia protein tyrosine phosphatase at 2.5 A and the complex with tungstateNature199437064905715758052312
  • JiaZBarfordDFlintAJTonksNKStructural basis for phosphotyrosine peptide recognition by protein tyrosine phosphatase 1BScience19952685218175417587540771
  • GhattasMAAtatrehNBichenkovaEVBryceRAProtein tyrosine phosphatases: ligand interaction analysis and optimisation of virtual screeningJ Mol Graph Model20145211412325038507
  • LipinskiCALombardoFDominyBWFeeneyPJExperimental and computational approaches to estimate solubility and permeability in drug discovery and development settingsAdv Drug Deliv Rev2001461–332611259830
  • AndersenHSIversenLFJeppesenCB2-(Oxalylamino)-benzoic acid is a general, competitive inhibitor of protein-tyrosine phosphatasesJ Biol Chem2000275107101710810702277
  • IversenLFAndersenHSBrannerSStructure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1BJ Biol Chem200027514103001030710744717
  • SalmeenAAndersenJNMyersMPTonksNKBarfordDMolecular basis for the dephosphorylation of the activation segment of the insulin receptor by protein tyrosine phosphatase 1BMol Cell2000661401141211163213
  • JiaZYeQDinautANStructure of protein tyrosine phosphatase 1B in complex with inhibitors bearing two phosphotyrosine mimeticsJ Med Chem200144264584459411741477
  • IversenLFAndersenHSMollerKBSteric hindrance as a basis for structure-based design of selective inhibitors of protein-tyrosine phosphatasesBiochemistry20014049148121482011732900
  • ScapinGPatelSBBeckerJWThe structural basis for the selectivity of benzotriazole inhibitors of PTP1BBiochemistry20034239114511145914516196
  • ChengTLiQZhouZWangYBryantSHStructure-based virtual screening for drug discovery: a problem-centric reviewAAPS J201214113314122281989
  • AlaPJGonnevilleLHillmanMCStructural basis for inhibition of protein-tyrosine phosphatase 1B by isothiazolidinone heterocyclic phosphonate mimeticsJ Biol Chem200628143327843279516916797
  • AlaPJGonnevilleLHillmanMStructural insights into the design of nonpeptidic isothiazolidinone-containing inhibitors of protein-tyrosine phosphatase 1BJ Biol Chem200628149380133802117028182
  • WiesmannCBarrKJKungJAllosteric inhibition of protein tyrosine phosphatase 1BNat Struct Mol Biol200411873073715258570
  • KrishnanNKovealDMillerDHTargeting the disordered C terminus of PTP1B with an allosteric inhibitorNat Chem Biol201410755856624845231
  • HeRZengLFHeYZhangZYRecent advances in PTP1B inhibitor development for the treatment of type 2 diabetes and obesity, Chapter 6New Therapeutic Strategies for Type 2 Diabetes: Small Molecule Approaches (RSC Drug Discovery)Cambridge, UKThe Royal Society of Chemistry2012142176
  • GrundnerCPerrinDHooft van HuijsduijnenRStructural basis for selective inhibition of Mycobacterium tuberculosis protein tyrosine phosphatase PtpBStructure200715449950917437721
  • BarrAJUgochukwuELeeWHLarge-scale structural analysis of the classical human protein tyrosine phosphatomeCell2009136235236319167335
  • YokotaTNaraYKashimaACrystal structure of human dual specificity phosphatase, JNK stimulatory phosphatase-1, at 1.5 Å resolutionProteins200766227227817068812
  • ReynoldsRAYemAWWolfeCLDeibelMRJrChidesterCGWatenpaughKDCrystal structure of the catalytic subunit of Cdc25B required for G2/M phase transition of the cell cycleJ Mol Biol1999293355956810543950
  • IvanovMIStuckeyJASchubertHLSaperMABliskaJBTwo substrate-targeting sites in the Yersinia protein tyrosine phosphatase co-operate to promote bacterial virulenceMol Microbiol20055551346135615720545
  • BarfordDFlintAJTonksNKCrystal structure of human protein tyrosine phosphatase 1BScience19942635152139714048128219
  • ZengL-FXuJHeYA facile hydroxyindole carboxylic acid based focused library approach for potent and selective inhibitors of Mycobacterium protein tyrosine phosphatase BChemMedChem20138690490823568546
  • GobertRPvan den EijndenMSzyndralewiezCGLEPP1/protein-tyrosine phosphatase φ inhibitors block chemotaxis in vitro and in vivo and improve murine ulcerative colitisJ Biol Chem200928417113851139519233845
  • ParkHLiMChoiJChoHHamSWStructure-based virtual screening approach to identify novel classes of Cdc25B phosphatase inhibitorsBioorg Med Chem Lett200919154372437519500977
  • RawlsKATherese LangPTakeuchiJFragment-based discovery of selective inhibitors of the Mycobacterium tuberculosis protein tyrosine phosphatase PtpABioorg Med Chem Lett200919246851685419889539
  • BahtaMLountosGTDyasBUtilization of nitrophenylphosphates and oxime-based ligation for the development of nanomolar affinity inhibitors of the Yersinia pestis outer protein H (YopH) phosphataseJ Med Chem20115482933294321443195
  • ShenKKengY-FWuLGuoX-LLawrenceDSZhangZ-YAcquisition of a specific and potent PTP1B inhibitor from a novel combinatorial library and screening procedureJ Biol Chem2001276473114731911584002
  • SzczepankiewiczBGLiuGHajdukPJDiscovery of a potent, selective protein tyrosine phosphatase 1B inhibitor using a linked-fragment strategyJ Am Chem Soc2003125144087409612670229