Title Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Journal, issue, pages Acta Crystallogr. ,Sect. D , Vol. 70, Page 2740-2753, Year 2014Publish date May 22, 2014 (structure data deposition date) AuthorsQiu, W. / Lam, R. / Voytyuk, O. / Romanov, V. / Gordon, R. / Gebremeskel, S. / Vodsedalek, J. / Thompson, C. / Beletskaya, I. / Battaile, K.P. ...Qiu, W. / Lam, R. / Voytyuk, O. / Romanov, V. / Gordon, R. / Gebremeskel, S. / Vodsedalek, J. / Thompson, C. / Beletskaya, I. / Battaile, K.P. / Pai, E.F. / Rottapel, R. / Chirgadze, N.Y. External links Acta Crystallogr. ,Sect. D / PubMed:25286857Methods X-ray diffraction Resolution 1.5 - 2.6 Å Structure data PDB-4pml : Structure viewer Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide. Method : X-RAY DIFFRACTION / Resolution : 1.87 Å
PDB-4pnl : Structure viewer Crystal structure of TNKS-2 in complex with DR2313. Method : X-RAY DIFFRACTION / Resolution : 1.5 Å
PDB-4pnm : Structure viewer Crystal Structure of human Tankyrase 2 in complex with Nu1025. Method : X-RAY DIFFRACTION / Resolution : 2.19 Å
PDB-4pnn : Structure viewer Crystal Structure of human Tankyrase 2 in complex with 4HQN. Method : X-RAY DIFFRACTION / Resolution : 1.65 Å
PDB-4pnq : Structure viewer Crystal Structure of human Tankyrase 2 in complex with 5AIQ. Method : X-RAY DIFFRACTION / Resolution : 1.85 Å
PDB-4pnr : Structure viewer Crystal Structure of human Tankyrase 2 in complex with TIQ-A. Method : X-RAY DIFFRACTION / Resolution : 1.71 Å
PDB-4pns : Structure viewer Crystal Structure of human Tankyrase 2 in complex with INH2BP. Method : X-RAY DIFFRACTION / Resolution : 1.65 Å
PDB-4pnt : Structure viewer Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD. Method : X-RAY DIFFRACTION / Resolution : 1.6 Å
PDB-4tju : Structure viewer Crystal Structure of human Tankyrase 2 in complex with 3,4-CPQ-5-C. Method : X-RAY DIFFRACTION / Resolution : 1.57 Å
PDB-4tjw : Structure viewer Crystal Structure of human Tankyrase 2 in complex with PJ-34. Method : X-RAY DIFFRACTION / Resolution : 1.7 Å
PDB-4tjy : Structure viewer Crystal Structure of human Tankyrase 2 in complex with ABT-888. Method : X-RAY DIFFRACTION / Resolution : 1.9 Å
PDB-4tk0 : Structure viewer Crystal Structure of human Tankyrase 2 in complex with DPQ. Method : X-RAY DIFFRACTION / Resolution : 1.65 Å
PDB-4tk5 : Structure viewer Crystal Structure of human Tankyrase 2 in complex with EB47. Method : X-RAY DIFFRACTION / Resolution : 2.02 Å
PDB-4tkf : Structure viewer Crystal Structure of human Tankyrase 2 in complex with IWR-1. Method : X-RAY DIFFRACTION / Resolution : 2.6 Å
PDB-4tkg : Structure viewer Crystal Structure of human Tankyrase 2 in complex with AZD2281. Method : X-RAY DIFFRACTION / Resolution : 1.95 Å
PDB-4tki : Structure viewer Crystal Structure of human Tankyrase 2 in complex with BSI-201. Method : X-RAY DIFFRACTION / Resolution : 2.15 Å
Chemicals ChemComp-DMS : Structure viewer DIMETHYL SULFOXIDE / DMSO, precipitant*YM
ChemComp-IPA : Structure viewer ISOPROPYL ALCOHOL / alkaloid*YM
ChemComp-DRL : Structure viewer 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one
ChemComp-NU1 : Structure viewer 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE
ChemComp-G18 : Structure viewer 4H-thieno[2,3-c]isoquinolin-5-one
ChemComp-32Y : Structure viewer 6-amino-5-iodo-2H-chromen-2-one
ChemComp-IQD : Structure viewer 5-hydroxyisoquinolin-1(4H)-one
ChemComp-CNQ : Structure viewer 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE
ChemComp-P34 : Structure viewer N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
ChemComp-3GN : Structure viewer 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide
ChemComp-32Z : Structure viewer 5-[4-(piperidin-1-yl)butoxy]-3,4-dihydroisoquinolin-1(2H)-one
ChemComp-UHB : Structure viewer 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide
ChemComp-33C : Structure viewer 4-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide
ChemComp-09L : Structure viewer 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one / medication, inhibitor*YM
ChemComp-33E : Structure viewer 4-iodo-3-nitrobenzamide / inhibitor*YM
Source homo sapiens (human) Keywords TRANSFERASE / PARP-inhibitor / PARP / poly(ADP-ribosylation) polymerase (PARP)