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PDBsum entry 6ttt
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References listed in PDB file
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Key reference
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Title
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Small-Molecule inhibitors of mettl3, The major human epitranscriptomic writer.
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Authors
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R.K.Bedi,
D.Huang,
S.A.Eberle,
L.Wiedmer,
P.ŚLedź,
A.Caflisch.
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Ref.
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ChemMedChem, 2020,
15,
744-748.
[DOI no: ]
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PubMed id
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Abstract
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The RNA methylase METTL3 catalyzes the transfer of a methyl group from the
cofactor S-adenosyl-L-methionine (SAM) to the N6 atom of adenine. We
have screened a library of 4000 analogues and derivatives of the adenosine
moiety of SAM by high-throughput docking into METTL3. Two series of adenine
derivatives were identified in silico, and the binding mode of six of the
predicted inhibitors was validated by protein crystallography. Two compounds,
one for each series, show good ligand efficiency. We propose a route for their
further development into potent and selective inhibitors of METTL3.
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