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PDB: 53 件
6EK3
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BU of 6ek3 by Molmil
PARP15 CATALYTIC DOMAIN MUTANT (Y598L) IN COMPLEX WITH OUL35
分子名称: 4-(4-aminocarbonylphenoxy)benzamide, Poly [ADP-ribose] polymerase 15
著者Maksimainen, M.M, Lehtio, L.
登録日2017-09-25
公開日2018-07-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献4-(Phenoxy) and 4-(benzyloxy)benzamides as potent and selective inhibitors of mono-ADP-ribosyltransferase PARP10/ARTD10.
Eur J Med Chem, 156, 2018
4IUG
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BU of 4iug by Molmil
Crystal structure of beta-galactosidase from Aspergillus oryzae in complex with galactose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-6-O-phosphono-beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, ...
著者Maksimainen, M, Rouvinen, J.
登録日2013-01-21
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The crystal structure of acidic beta-galactosidase from Aspergillus oryzae.
Int.J.Biol.Macromol., 60C, 2013
3TTY
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BU of 3tty by Molmil
Crystal structure of beta-galactosidase from Bacillus circulans sp. alkalophilus in complex with galactose
分子名称: Beta-galactosidase, ZINC ION, alpha-D-galactopyranose
著者Maksimainen, M, Hakulinen, N, Rouvinen, J.
登録日2011-09-15
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural analysis, enzymatic characterization, and catalytic mechanisms of beta-galactosidase from Bacillus circulans sp. alkalophilus.
Febs J., 279, 2012
3TTS
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BU of 3tts by Molmil
Crystal structure of beta-galactosidase from Bacillus circulans sp. alkalophilus
分子名称: Beta-galactosidase, ZINC ION
著者Maksimainen, M, Hakulinen, N, Rouvinen, J.
登録日2011-09-15
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural analysis, enzymatic characterization, and catalytic mechanisms of beta-galactosidase from Bacillus circulans sp. alkalophilus.
Febs J., 279, 2012
7Z1Y
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BU of 7z1y by Molmil
PARP15 catalytic domain in complex with OUL245
分子名称: DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15, [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol
著者Maksimainen, M.M, Lehtio, L.
登録日2022-02-25
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 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
7Z1V
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BU of 7z1v by Molmil
PARP15 catalytic domain in complex with OUL208
分子名称: 6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2022-02-25
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 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
7Z2O
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BU of 7z2o by Molmil
PARP15 catalytic domain in complex with OUL215
分子名称: 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2022-02-28
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 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
7Z2Q
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BU of 7z2q by Molmil
PARP15 catalytic domain in complex with OUL232
分子名称: 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2022-02-28
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
7Z1W
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BU of 7z1w by Molmil
PARP15 catalytic domain in complex with OUL246
分子名称: 6-chloranyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2022-02-25
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
3OG2
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BU of 3og2 by Molmil
Native crystal structure of Trichoderma reesei beta-galactosidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
著者Maksimainen, M, Rouvinen, J.
登録日2010-08-16
公開日2011-03-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures of Trichoderma reesei beta-galactosidase reveal conformational changes in the active site
J.Struct.Biol., 174, 2011
3OGV
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BU of 3ogv by Molmil
Complex structure of beta-galactosidase from Trichoderma reesei with PETG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-phenylethyl 1-thio-beta-D-galactopyranoside, ...
著者Maksimainen, M, Rouvinen, J.
登録日2010-08-17
公開日2011-03-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structures of Trichoderma reesei beta-galactosidase reveal conformational changes in the active site
J.Struct.Biol., 174, 2011
3OGR
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BU of 3ogr by Molmil
Complex structure of beta-galactosidase from Trichoderma reesei with galactose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
著者Maksimainen, M, Rouvinen, J.
登録日2010-08-17
公開日2011-03-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structures of Trichoderma reesei beta-galactosidase reveal conformational changes in the active site
J.Struct.Biol., 174, 2011
3OGS
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BU of 3ogs by Molmil
Complex structure of beta-galactosidase from Trichoderma reesei with IPTG
分子名称: 1-methylethyl 1-thio-beta-D-galactopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Maksimainen, M, Rouvinen, J.
登録日2010-08-17
公開日2011-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of Trichoderma reesei beta-galactosidase reveal conformational changes in the active site
J.Struct.Biol., 174, 2011
7R5D
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BU of 7r5d by Molmil
PARP15 catalytic domain in complex with OUL234
分子名称: 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者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 (2.15 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
7R3O
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BU of 7r3o by Molmil
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
7R3L
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BU of 7r3l by Molmil
PARP14 catalytic domain in complex with OUL40
分子名称: 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, CHLORIDE ION, Poly [ADP-ribose] polymerase 14, ...
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2024-10-23
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
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
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
7OSS
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BU of 7oss by Molmil
PARP15 catalytic domain in complex with OUL194
分子名称: 8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-06-09
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OUX
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BU of 7oux by Molmil
PARP15 catalytic domain in complex with OUL228
分子名称: 8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-06-14
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OTH
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BU of 7oth by Molmil
PARP15 catalytic domain in complex with OUL219
分子名称: 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-06-10
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OUW
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BU of 7ouw by Molmil
PARP15 catalytic domain in complex with OUL220
分子名称: 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-06-14
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OSX
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BU of 7osx by Molmil
PARP15 catalytic domain in complex with OUL205
分子名称: 8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-06-09
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OTF
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BU of 7otf by Molmil
PARP15 catalytic domain in complex with OUL213
分子名称: 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-06-10
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OSP
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BU of 7osp by Molmil
PARP15 catalytic domain in complex with OUL113
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-[(3-bromophenyl)methoxy]benzamide, DIMETHYL SULFOXIDE, ...
著者Maksimainen, M.M, Lehtio, L.
登録日2021-06-09
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021

 

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件を2024-11-06に公開中

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