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Structure paper

TitlePhosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1.
Journal, issue, pagesFront Chem, Vol. 10, Page 910953-910953, Year 2022
Publish dateMar 23, 2022 (structure data deposition date)
AuthorsZhao, X.Z. / Wang, W. / Lountos, G.T. / Tropea, J.E. / Needle, D. / Pommier, Y. / Burke Jr., T.R.
External linksFront Chem / PubMed:36051621
MethodsX-ray diffraction
Resolution1.559 - 1.584 Å
Structure data

PDB-7ufy:
Crystal structure of TDP1 complexed with compound XZ766
Method: X-RAY DIFFRACTION / Resolution: 1.584 Å

PDB-7ufz:
Crystal structure of TDP1 complexed with compound XZ768
Method: X-RAY DIFFRACTION / Resolution: 1.559 Å

Chemicals

ChemComp-N8I:
[(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-N7U:
(4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

Source
  • homo sapiens (human)
KeywordsHYDROLASE / phosphodiesterase / DNA BINDING PROTEIN

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