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PDB: 43 件
7PX7
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BU of 7px7 by Molmil
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
7PW3
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BU of 7pw3 by Molmil
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
7PWP
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BU of 7pwp by Molmil
PARP15 catalytic domain in complex with OUL221
分子名称: 4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide, DIMETHYL SULFOXIDE, 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 (2.1 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
7PWQ
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BU of 7pwq by Molmil
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
7PWK
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BU of 7pwk by Molmil
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
7PWW
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BU of 7pww by Molmil
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
7AEO
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BU of 7aeo by Molmil
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
6Y4Z
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BU of 6y4z by Molmil
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
6Y4Y
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BU of 6y4y by Molmil
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
6Y73
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BU of 6y73 by Molmil
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
6RHT
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BU of 6rht by Molmil
Structure of Pediococcus acidilactici putative lactate oxidase WT protein
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Putative L-lactate oxidase
著者Ashok, Y, Maksimainen, M.M, Kilpelainen, P, Lehtio, L.
登録日2019-04-22
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献FMN-dependent oligomerization of putative lactate oxidase from Pediococcus acidilactici.
Plos One, 15, 2020
6RHS
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BU of 6rhs by Molmil
Crystal structure of Pediococcus acidilactici (Putative)lactate oxidase Refolded WT protein
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Putative L-lactate oxidase
著者Ashok, Y, Maksimainen, M.M, Kilpelainen, P, Lehtio, L.
登録日2019-04-22
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献FMN-dependent oligomerization of putative lactate oxidase from Pediococcus acidilactici.
Plos One, 15, 2020
6RY4
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BU of 6ry4 by Molmil
PARP15 catalytic domain in complex with 4-(3-carbamoylphenoxy)benzamide.
分子名称: 3-(4-aminocarbonylphenoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Murthy, S.N, Maksimainen, M.M, Lehtio, L.
登録日2019-06-10
公開日2020-07-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Evaluation of 3- and 4-Phenoxybenzamides as Selective Inhibitors of the Mono-ADP-Ribosyltransferase PARP10.
Chemistryopen, 2021
6R9V
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BU of 6r9v by Molmil
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
7Z41
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BU of 7z41 by Molmil
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
7R59
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BU of 7r59 by Molmil
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
7R3Z
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BU of 7r3z by Molmil
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
7R4A
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BU of 7r4a by Molmil
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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