7PWW
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![BU of 7pww by Molmil](/molmil-images/mine/7pww) | PARP15 catalytic domain in complex with OUL224 | 分子名称: | 6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Murthy, S, Nizi, M.G, 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 (2.15 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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7PWL
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![BU of 7pwl by Molmil](/molmil-images/mine/7pwl) | PARP15 catalytic domain in complex with OUL218 | 分子名称: | 4-(1,3-thiazol-5-ylmethoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Murthy, S, 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 (2 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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7PWS
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![BU of 7pws by Molmil](/molmil-images/mine/7pws) | PARP15 catalytic domain in complex with OUL255 | 分子名称: | 6-(cyclobutylmethoxy)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 (1.8 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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7PX6
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![BU of 7px6 by Molmil](/molmil-images/mine/7px6) | PARP15 catalytic domain in complex with OUL241 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2021-10-08 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 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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7PWC
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![BU of 7pwc by Molmil](/molmil-images/mine/7pwc) | PARP15 catalytic domain in complex with OUL238 | 分子名称: | 4-(cyclobutylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2021-10-06 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 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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7PWR
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![BU of 7pwr by Molmil](/molmil-images/mine/7pwr) | PARP15 catalytic domain in complex with OUL254 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(cyclopentylmethoxy)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 (1.6 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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7PWU
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![BU of 7pwu by Molmil](/molmil-images/mine/7pwu) | PARP15 catalytic domain in complex with OUL256 | 分子名称: | 6-(cyclopropylmethoxy)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 (1.9 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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7PWA
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![BU of 7pwa by Molmil](/molmil-images/mine/7pwa) | PARP15 catalytic domain in complex with OUL237 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(cyclopentylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2021-10-06 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 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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7PWM
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![BU of 7pwm by Molmil](/molmil-images/mine/7pwm) | PARP15 catalytic domain in complex with OUL252 | 分子名称: | 4-(cyclohexylmethoxy)-2-methoxy-benzamide, DIMETHYL SULFOXIDE, 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 (1.35 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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7PX7
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![BU of 7px7 by Molmil](/molmil-images/mine/7px7) | PARP15 catalytic domain in complex with OUL242 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2021-10-08 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 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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7PW3
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![BU of 7pw3 by Molmil](/molmil-images/mine/7pw3) | PARP15 catalytic domain in complex with OUL217 | 分子名称: | 4-(cyclohexylmethoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Murthy, S, Lehtio, L. | 登録日 | 2021-10-06 | 公開日 | 2022-05-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 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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7PWQ
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![BU of 7pwq by Molmil](/molmil-images/mine/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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7PWK
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![BU of 7pwk by Molmil](/molmil-images/mine/7pwk) | PARP15 catalytic domain in complex with OUL239 | 分子名称: | 4-(cyclopropylmethoxy)benzamide, 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 (1.8 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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8R79
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![BU of 8r79 by Molmil](/molmil-images/mine/8r79) | The D2 domain of human DTX3L | 分子名称: | E3 ubiquitin-protein ligase DTX3L, SULFATE ION | 著者 | Vela-Rodriguez, C, Lehtio, L, Maksimainen, M, Duman, R, Wagner, A, Glumoff, T. | 登録日 | 2023-11-24 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Oligomerisation mediated by the D2 domain of DTX3L is critical for DTX3L-PARP9 reading function of mono-ADP-ribosylated androgen receptor. Biorxiv, 2023
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7AEO
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![BU of 7aeo by Molmil](/molmil-images/mine/7aeo) | Human ARTD2 in complex with DNA oligonucleotides | 分子名称: | DNA, Poly [ADP-ribose] polymerase 2, SULFATE ION | 著者 | Obaji, E, Maksimainen, M.M, Galera-Prat, A, Lehtio, L. | 登録日 | 2020-09-17 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Activation of PARP2/ARTD2 by DNA damage induces conformational changes relieving enzyme autoinhibition. Nat Commun, 12, 2021
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8TV7
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![BU of 8tv7 by Molmil](/molmil-images/mine/8tv7) | SARS-CoV-2 Mac1 in complex with MDOLL-0229 | 分子名称: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, GLYCEROL, Papain-like protease nsp3 | 著者 | Wazir, S, Maksimainen, M, Lehtio, L. | 登録日 | 2023-08-17 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 67, 2024
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8TV6
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![BU of 8tv6 by Molmil](/molmil-images/mine/8tv6) | SARS-CoV-2 Mac1 in complex with MDOLL-0169 | 分子名称: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Wazir, S, Maksimainen, M, Lehtio, L. | 登録日 | 2023-08-17 | 公開日 | 2024-04-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 67, 2024
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6R9V
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![BU of 6r9v by Molmil](/molmil-images/mine/6r9v) | Crystal structure of Pediococcus acidilactici lactate oxidase A94G mutant | 分子名称: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Putative L-lactate oxidase, ... | 著者 | Ashok, Y, Maksimainen, M.M, Lehtio, L. | 登録日 | 2019-04-04 | 公開日 | 2020-02-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | FMN-dependent oligomerization of putative lactate oxidase from Pediococcus acidilactici. Plos One, 15, 2020
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7R3Z
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![BU of 7r3z by Molmil](/molmil-images/mine/7r3z) | Tankyrase 2 catalytic domain in complex with OUL40 | 分子名称: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | 著者 | Murthy, S, Venkannagari, H, Maksimainen, M.M, Lehtio, L. | 登録日 | 2022-02-08 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.25 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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7Z41
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![BU of 7z41 by Molmil](/molmil-images/mine/7z41) | PARP15 catalytic domain in complex with OUL209 | 分子名称: | 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Murthy, S, Maksimainen, M.M, Lehtio, L. | 登録日 | 2022-03-03 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 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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7R4A
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![BU of 7r4a by Molmil](/molmil-images/mine/7r4a) | PARP15 catalytic domain in complex with OUL188 | 分子名称: | 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Murthy, S, Maksimainen, M.M, Lehtio, L. | 登録日 | 2022-02-08 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 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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7R59
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![BU of 7r59 by Molmil](/molmil-images/mine/7r59) | PARP2 catalytic domain in complex with OUL245 | 分子名称: | GLYCEROL, Poly [ADP-ribose] polymerase 2, [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol | 著者 | Galera-Prat, A, Maksimainen, M.M, Lehtio, L. | 登録日 | 2022-02-10 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (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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6Y73
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![BU of 6y73 by Molmil](/molmil-images/mine/6y73) | The crystal structure of human MACROD2 in space group P43 | 分子名称: | ADP-ribose glycohydrolase MACROD2, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Wazir, S, Maksimainen, M.M, Lehtio, L. | 登録日 | 2020-02-28 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Multiple crystal forms of human MacroD2. Acta Crystallogr.,Sect.F, 76, 2020
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6Y4Z
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![BU of 6y4z by Molmil](/molmil-images/mine/6y4z) | The crystal structure of human MACROD2 in space group P43212 | 分子名称: | L(+)-TARTARIC ACID, Thioredoxin 1,ADP-ribose glycohydrolase MACROD2 | 著者 | Wazir, S, Maksimainen, M.M, Lehtio, L. | 登録日 | 2020-02-24 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Multiple crystal forms of human MacroD2. Acta Crystallogr.,Sect.F, 76, 2020
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6Y4Y
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![BU of 6y4y by Molmil](/molmil-images/mine/6y4y) | The crystal structure of human MACROD2 in space group P41212 | 分子名称: | L(+)-TARTARIC ACID, Thioredoxin 1,ADP-ribose glycohydrolase MACROD2 | 著者 | Wazir, S, Maksimainen, M.M, Lehtio, L. | 登録日 | 2020-02-24 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Multiple crystal forms of human MacroD2. Acta Crystallogr.,Sect.F, 76, 2020
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