7PWQ
| PARP15 catalytic domain in complex with OUL240 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(cyclohexylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2021-10-07 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 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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7R3O
| PARP15 catalytic domain in complex with OUL40 | 分子名称: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Murthy, S, Lehtio, L. | 登録日 | 2022-02-07 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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7R5X
| Tankyrase 2 in complex with an inhibitor (OUL211) | 分子名称: | 7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2022-02-11 | 公開日 | 2023-02-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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5NVH
| Crystal structure of TNKS2 in complex with 2-[4-(piperidin-1-yl)phenyl]-3,4-dihydroquinazolin-4-one | 分子名称: | 2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-05-04 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NVC
| Crystal structure of TNKS2 in complex with 2-(3-hydroxyphenyl)-3,4-dihydroquinazolin-4-one | 分子名称: | 2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-05-04 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NWD
| Crystal structure of TNKS2 in complex with 2-[4-(diethylamino)phenyl]-3,4-dihydroquinazolin-4-one | 分子名称: | 2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-05-05 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NT0
| Crystal structure of TNKS2 in complex with 2-(3-aminophenyl)-3,4-dihydroquinazolin-4-one | 分子名称: | 2-(3-aminophenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-04-27 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NVE
| Crystal structure of TNKS2 in complex with 2-(4-ethoxyphenyl)-3,4-dihydroquinazolin-4-one | 分子名称: | 2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-05-04 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NWB
| Crystal structure of TNKS2 in complex with 2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}-3,4-dihydroquinazolin-4-one | 分子名称: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-05-05 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NXE
| Crystal structure of TNKS2 in complex with 2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one | 分子名称: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-05-10 | 公開日 | 2018-03-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NWC
| Crystal structure of TNKS2 in complex with 2-(2-aminophenyl)-3,4-dihydroquinazolin-4-one | 分子名称: | 2-(2-aminophenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-05-05 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NVF
| Crystal structure of TNKS2 in complex with 2-[4-(pyridin-2-yl)phenyl]-3,4-dihydroquinazolin-4-one | 分子名称: | 2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-05-04 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NSX
| Crystal structure of TNKS2 in complex with 2-(1H-indazol-5-yl)-3,4-dihydroquinazolin-4-one | 分子名称: | 2-(2~{H}-indazol-5-yl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-04-27 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NT4
| Crystal structure of TNKS2 in complex with 2-[4-(morpholin-4-yl)phenyl]-3,4-dihydroquinazolin-4-one | 分子名称: | 2-[4-morpholin-4-yl]-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-04-27 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NUT
| Crystal structure of TNKS2 in complex with 2-[4-(propan-2-yloxy)phenyl]-3,4-dihydroquinazolin-4-one | 分子名称: | 2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-05-02 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NWG
| Crystal structure of TNKS2 in complex with 7-chloro-2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}-3,4-dihydroquinazolin-4-one | 分子名称: | 7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | 登録日 | 2017-05-05 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5AEH
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5ADQ
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5AKW
| Crystal structure of TNKS2 in complex with 2-(4-chlorophenyl)-1,2,3,4- tetrahydroquinazolin-4-one | 分子名称: | (2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Lehtio, L. | 登録日 | 2015-03-05 | 公開日 | 2015-07-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5AL2
| Crystal structure of TNKS2 in complex with 2-(4-(propan-2-yl)phenyl)- 1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | 分子名称: | (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Lehtio, L. | 登録日 | 2015-03-06 | 公開日 | 2015-07-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5AL5
| Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4-yl)methyl) piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one | 分子名称: | 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Lehtio, L. | 登録日 | 2015-03-06 | 公開日 | 2015-07-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5AL1
| Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1H, 2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | 分子名称: | 2-(4-TERT-BUTYLPHENYL)-1H,2H,3H,4H-PYRIDO(2,3-D)PYRIMIDIN-4-ONE, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Lehtio, L. | 登録日 | 2015-03-06 | 公開日 | 2015-07-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5AKU
| Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1,2, 3,4-tetrahydroquinazolin-4-one | 分子名称: | 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Lehtio, L. | 登録日 | 2015-03-05 | 公開日 | 2015-07-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5AL3
| Crystal structure of TNKS2 in complex with 2-(2,4-dichlorophenyl)-1- methyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | 分子名称: | (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Lehtio, L. | 登録日 | 2015-03-06 | 公開日 | 2015-07-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5ADS
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