Discovery of an MLLT1/3 YEATS Domain Chemical Probe

  • Moses Moustakim
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Thomas Christott
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Octovia P. Monteiro
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • James Bennett
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Charline Giroud
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Jennifer Ward
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Catherine M. Rogers
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Paul Smith
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Ioanna Panagakou
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Laura Díaz‐Sáez
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Suet Ling Felce
    Structural Genomics Consortium & Botnar Research Centre University of Oxford Windmill Road Oxford OX3 7LD UK
  • Vicki Gamble
    Structural Genomics Consortium & Botnar Research Centre University of Oxford Windmill Road Oxford OX3 7LD UK
  • Carina Gileadi
    Structural Genomics Consortium & Botnar Research Centre University of Oxford Windmill Road Oxford OX3 7LD UK
  • Nadia Halidi
    Structural Genomics Consortium & Botnar Research Centre University of Oxford Windmill Road Oxford OX3 7LD UK
  • David Heidenreich
    Institute for Pharmaceutical Chemistry and Buchmann Institute for Life Sciences Johann Wolfgang Goethe-University 60438 Frankfurt am Main Germany
  • Apirat Chaikuad
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Stefan Knapp
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Kilian V. M. Huber
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Gillian Farnie
    Structural Genomics Consortium & Botnar Research Centre University of Oxford Windmill Road Oxford OX3 7LD UK
  • Jag Heer
    UCB Pharma Ltd Slough SL1 3WE UK
  • Nenad Manevski
    UCB Pharma Ltd Slough SL1 3WE UK
  • Gennady Poda
    Drug Discovery Program Ontario Institute for Cancer Research Toronto ON Canada
  • Rima Al‐awar
    Drug Discovery Program Ontario Institute for Cancer Research Toronto ON Canada
  • Darren J. Dixon
    Department of Chemistry University of Oxford Chemistry Research Laboratory Mansfield Road Oxford OX1 3TA UK
  • Paul E. Brennan
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK
  • Oleg Fedorov
    Structural Genomics Consortium & Target Discovery Institute University of Oxford, NDMRB Old Road Campus Oxford, OX3 7DQ & OX3 7FZ UK

説明

<jats:title>Abstract</jats:title><jats:p>YEATS domain (YD) containing proteins are an emerging class of epigenetic targets in drug discovery. Dysregulation of these modified lysine‐binding proteins has been linked to the onset and progression of cancers. We herein report the discovery and characterisation of the first small‐molecule chemical probe, <jats:bold>SGC</jats:bold>‐<jats:bold>iMLLT</jats:bold>, for the YD of MLLT1 (ENL/YEATS1) and MLLT3 (AF9/YEATS3). <jats:bold>SGC‐iMLLT</jats:bold> is a potent and selective inhibitor of MLLT1/3–histone interactions. Excellent selectivity over other human YD proteins (YEATS2/4) and bromodomains was observed. Furthermore, our probe displays cellular target engagement of MLLT1 and MLLT3. The first small‐molecule X‐ray co‐crystal structures with the MLLT1 YD are also reported. This first‐in‐class probe molecule can be used to understand MLLT1/3‐associated biology and the therapeutic potential of small‐molecule YD inhibitors.</jats:p>

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