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Structure paper

TitleConformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L.
Journal, issue, pagesChem. Biol. Drug Des., Vol. 80, Page 971-980, Year 2012
Publish dateApr 9, 2012 (structure data deposition date)
AuthorsBasavapathruni, A. / Jin, L. / Daigle, S.R. / Majer, C.R. / Therkelsen, C.A. / Wigle, T.J. / Kuntz, K.W. / Chesworth, R. / Pollock, R.M. / Scott, M.P. ...Basavapathruni, A. / Jin, L. / Daigle, S.R. / Majer, C.R. / Therkelsen, C.A. / Wigle, T.J. / Kuntz, K.W. / Chesworth, R. / Pollock, R.M. / Scott, M.P. / Moyer, M.P. / Richon, V.M. / Copeland, R.A. / Olhava, E.J.
External linksChem. Biol. Drug Des. / PubMed:22978415
MethodsX-ray diffraction
Resolution2.5 - 2.85 Å
Structure data

PDB-4ek9:
Crystal structure of DOT1L in complex with EPZ000004
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-4ekg:
Crystal Structure of DOT1L in Complex with EPZ003696
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-4eki:
Crystal Structure of DOT1L in complex with EPZ004777
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

Chemicals

ChemComp-EP4:
5'-deoxy-5'-(dimethylamino)adenosine

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-0QJ:
5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine

ChemComp-0QK:
7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Source
  • homo sapiens (human)
Keywordstransferase/transferase inhibitor / Methyltransferase / TRANSFERASE / transferase-transferase inhibitor complex

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