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Structure paper

TitleA strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Journal, issue, pagesChem Sci, Vol. 6, Page 112-122, Year 2015
Publish dateApr 9, 2014 (structure data deposition date)
AuthorsToh, J.D.W. / Sun, L. / Lau, L.Z.M. / Tan, J. / Low, J.J.A. / Tang, C.W.Q. / Cheong, E.J.Y. / Tan, M.J.H. / Chen, Y. / Hong, W. ...Toh, J.D.W. / Sun, L. / Lau, L.Z.M. / Tan, J. / Low, J.J.A. / Tang, C.W.Q. / Cheong, E.J.Y. / Tan, M.J.H. / Chen, Y. / Hong, W. / Gao, Y.G. / Woon, E.C.Y.
External linksChem Sci / PubMed:28553460
MethodsX-ray diffraction
Resolution2.65 - 3.1 Å
Structure data

PDB-4cxw:
Crystal structure of human FTO in complex with subfamily-selective inhibitor 12
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-4cxx:
Crystal structure of human FTO in complex with acylhydrazine inhibitor 16
Method: X-RAY DIFFRACTION / Resolution: 2.76 Å

PDB-4cxy:
Crystal structure of human FTO in complex with acylhydrazine inhibitor 21
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-NI:
NICKEL (II) ION

ChemComp-6MK:
(2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid

ChemComp-HOH:
WATER

ChemComp-640:
(2E)-4-{N'-[4-(4-tert-Butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid

ChemComp-DGR:
(E)-4-(2-Nicotinoylhydrazinyl)-4-oxobut-2-enoic acid

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / SMALL MOLECULAR PROBE

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