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Structure paper

TitleStructure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement.
Journal, issue, pagesAcs Chem. Biol., Vol. 10, Page 667-674, Year 2015
Publish dateNov 6, 2014 (structure data deposition date)
AuthorsYi, J.S. / Federation, A.J. / Qi, J. / Dhe-Paganon, S. / Hadler, M. / Xu, X. / St Pierre, R. / Varca, A.C. / Wu, L. / Marineau, J.J. ...Yi, J.S. / Federation, A.J. / Qi, J. / Dhe-Paganon, S. / Hadler, M. / Xu, X. / St Pierre, R. / Varca, A.C. / Wu, L. / Marineau, J.J. / Smith, W.B. / Souza, A. / Chory, E.J. / Armstrong, S.A. / Bradner, J.E.
External linksAcs Chem. Biol. / PubMed:25397901
MethodsX-ray diffraction
Resolution2.41 Å
Structure data

PDB-4wvl:
Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

Chemicals

ChemComp-3US:
N-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase inhibitor / DOT1L / Methyltransferase / Inhibitor / Leukemia / Transferase-Transferase inhibitor complex

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