7OSX
| PARP15 catalytic domain in complex with OUL205 | Descriptor: | 8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-06-09 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
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7OTF
| PARP15 catalytic domain in complex with OUL213 | Descriptor: | 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-06-10 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
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7OSP
| PARP15 catalytic domain in complex with OUL113 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-[(3-bromophenyl)methoxy]benzamide, DIMETHYL SULFOXIDE, ... | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-06-09 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
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7OQQ
| PARP15 catalytic domain in complex with TIQ-A | Descriptor: | 4H-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-06-04 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
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7OLJ
| Tankyrase 2 in complex with an inhibitor (OUL219) | Descriptor: | 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | Authors: | Sowa, S.T, Lehtio, L. | Deposit date: | 2021-05-20 | Release date: | 2021-12-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
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7OUW
| PARP15 catalytic domain in complex with OUL220 | Descriptor: | 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-06-14 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
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7OM1
| Tankyrase 2 in complex with an inhibitor (OUL220) | Descriptor: | 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | Authors: | Sowa, S.T, Lehtio, L. | Deposit date: | 2021-05-21 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
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7OUX
| PARP15 catalytic domain in complex with OUL228 | Descriptor: | 8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-06-14 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
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7OTH
| PARP15 catalytic domain in complex with OUL219 | Descriptor: | 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-06-10 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
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4PNN
| Crystal Structure of human Tankyrase 2 in complex with 4HQN. | Descriptor: | Tankyrase-2, ZINC ION, quinazolin-4(1H)-one | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-24 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4PNS
| Crystal Structure of human Tankyrase 2 in complex with INH2BP. | Descriptor: | 6-amino-5-iodo-2H-chromen-2-one, GLYCEROL, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-25 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4PML
| Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide. | Descriptor: | 1,2-ETHANEDIOL, 3-aminobenzamide, DIMETHYL SULFOXIDE, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-22 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4PNL
| Crystal structure of TNKS-2 in complex with DR2313. | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-23 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4PNQ
| Crystal Structure of human Tankyrase 2 in complex with 5AIQ. | Descriptor: | 5-aminoisoquinolin-1(4H)-one, ISOPROPYL ALCOHOL, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-24 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4PNM
| Crystal Structure of human Tankyrase 2 in complex with Nu1025. | Descriptor: | 1,2-ETHANEDIOL, 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE, Tankyrase-2, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-23 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4PNR
| Crystal Structure of human Tankyrase 2 in complex with TIQ-A. | Descriptor: | 4H-thieno[2,3-c]isoquinolin-5-one, ETHANOL, GLYCEROL, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-24 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4PNT
| Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD. | Descriptor: | 5-hydroxyisoquinolin-1(4H)-one, Tankyrase-2, ZINC ION | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-25 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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7PWL
| PARP15 catalytic domain in complex with OUL218 | Descriptor: | 4-(1,3-thiazol-5-ylmethoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Murthy, S, Lehtio, L. | Deposit date: | 2021-10-07 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
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7PWR
| PARP15 catalytic domain in complex with OUL254 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(cyclopentylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-10-07 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
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7PWQ
| PARP15 catalytic domain in complex with OUL240 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(cyclohexylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-10-07 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
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7PWC
| PARP15 catalytic domain in complex with OUL238 | Descriptor: | 4-(cyclobutylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-10-06 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
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7PWK
| PARP15 catalytic domain in complex with OUL239 | Descriptor: | 4-(cyclopropylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-10-07 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
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7PWM
| PARP15 catalytic domain in complex with OUL252 | Descriptor: | 4-(cyclohexylmethoxy)-2-methoxy-benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-10-07 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
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7PWW
| PARP15 catalytic domain in complex with OUL224 | Descriptor: | 6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Murthy, S, Nizi, M.G, Lehtio, L. | Deposit date: | 2021-10-07 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
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7PX6
| PARP15 catalytic domain in complex with OUL241 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2021-10-08 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem., 237, 2022
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