Title Discovery of Tankyrase Inhibiting Flavones with Increased Potency and Isoenzyme Selectivity. Journal, issue, pages J. Med. Chem. , Vol. 56, Page 7880-, Year 2013Publish date Jun 7, 2013 (structure data deposition date) AuthorsNarwal, M. / Koivunen, J. / Haikarainen, T. / Obaji, E. / Legala, O.E. / Venkannagari, H. / Joensuu, P. / Pihlajaniemi, T. / Lehtio, L. External links J. Med. Chem. / PubMed:24116873Methods X-ray diffraction Resolution 1.7 - 2.3 Å Structure data PDB-4bs4 : Structure viewerCrystal structure of human tankyrase 2 in complex with 4'-isopropylflavoneMethod : X-RAY DIFFRACTION / Resolution : 1.89 Å
PDB-4kzl : Structure viewer Crystal structure of human tankyrase 2 in complex with 4'-fluoro flavoneMethod : X-RAY DIFFRACTION / Resolution : 2 Å
PDB-4kzq : Structure viewer Crystal structure of human tankyrase 2 in complex with 4' -hydroxy flavoneMethod : X-RAY DIFFRACTION / Resolution : 2.25 Å
PDB-4kzu : Structure viewer Crystal structure of human tankyrase 2 in complex with 4' -bromo flavoneMethod : X-RAY DIFFRACTION / Resolution : 2.1 Å
PDB-4l09 : Structure viewer Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-4H-chromen-2-yl)benzoic acid Method : X-RAY DIFFRACTION / Resolution : 2.05 Å
PDB-4l0b : Structure viewer Tankyrase 2 in complex with 4'-dimethylamino flavoneMethod : X-RAY DIFFRACTION / Resolution : 1.8 Å
PDB-4l0i : Structure viewer Tankyrase 2 catalytic domain in complex with ethyl 4-(4-oxo-4H-chromen-2-yl)benzoateMethod : X-RAY DIFFRACTION / Resolution : 2.3 Å
PDB-4l0s : Structure viewer Tankyrase 2 in complex with 4'-cyano flavoneMethod : X-RAY DIFFRACTION / Resolution : 1.9 Å
PDB-4l0t : Structure viewer Tankyrase 2 in complex with 4'-nitro flavoneMethod : X-RAY DIFFRACTION / Resolution : 2.1 Å
PDB-4l0v : Structure viewer Tankyrase 2 in complex with 4'-chloro flavoneMethod : X-RAY DIFFRACTION / Resolution : 1.7 Å
PDB-4l10 : Structure viewer Tankyrase 2 in complex with 4'-methoxy flavoneMethod : X-RAY DIFFRACTION / Resolution : 1.7 Å
PDB-4l2f : Structure viewer Tankyrase 2 in complex with 6-chloro flavoneMethod : X-RAY DIFFRACTION / Resolution : 2.05 Å
PDB-4l2g : Structure viewer Tankyrase 2 in complex with 6- fluoro flavoneMethod : X-RAY DIFFRACTION / Resolution : 2.05 Å
PDB-4l2k : Structure viewer Tankyrase 2 in complex with 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one Method : X-RAY DIFFRACTION / Resolution : 2.1 Å
PDB-4l31 : Structure viewer Tankyrase 2 in complex with methyl 4-(4-oxochromen-2-yl)benzoate Method : X-RAY DIFFRACTION / Resolution : 2 Å
PDB-4l32 : Structure viewer Tankyrase 2 in complex with 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one Method : X-RAY DIFFRACTION / Resolution : 1.85 Å
PDB-4l33 : Structure viewer Tankyrase 2 in complex with cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoateMethod : X-RAY DIFFRACTION / Resolution : 2.1 Å
PDB-4l34 : Structure viewer Tankyrase 2 in complex with 4'-tetrazole flavoneMethod : X-RAY DIFFRACTION / Resolution : 1.8 Å
Chemicals ChemComp-20D : Structure viewer 2-(4-fluorophenyl)-4H-chromen-4-one
ChemComp-DFL : Structure viewer 2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE
ChemComp-A73 : Structure viewer 2-(4-bromophenyl)-4H-chromen-4-one
ChemComp-1UR : Structure viewer 4-(4-oxo-4H-chromen-2-yl)benzoic acid
ChemComp-1UT : Structure viewer 2-[4-(dimethylamino)phenyl]-4H-chromen-4-one
ChemComp-1UW : Structure viewer ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
ChemComp-1UZ : Structure viewer 4-(4-oxo-4H-chromen-2-yl)benzonitrile
ChemComp-1V0 : Structure viewer 2-(4-nitrophenyl)-4H-chromen-4-one
ChemComp-1V1 : Structure viewer 2-(4-chlorophenyl)-4H-chromen-4-one
ChemComp-A63 : Structure viewer 2-(4-methoxyphenyl)-4H-chromen-4-one
ChemComp-1V3 : Structure viewer 6-chloro-2-phenyl-4H-chromen-4-one
ChemComp-1V4 : Structure viewer 6-fluoro-2-phenyl-4H-chromen-4-one
ChemComp-1V8 : Structure viewer 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one
ChemComp-F08 : Structure viewer methyl 4-(4-oxo-4H-chromen-2-yl)benzoate
ChemComp-1VF : Structure viewer 2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-one
ChemComp-F70 : Structure viewer cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
ChemComp-1VG : Structure viewer 2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one
Source homo sapiens (human) Keywords TRANSFERASE / PROTEIN-LIGAND COMPLEX / DIPHTHERIA TOXIN LIKE FOLD / ADP- RIBOSYLATION / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX / TRANSFERASE/TRANSFERASE INHIBITOR / ADP-RIBOSYLATION