4IUG
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![BU of 4iug by Molmil](/molmil-images/mine/4iug) | Crystal structure of beta-galactosidase from Aspergillus oryzae in complex with galactose | Descriptor: | 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, ... | Authors: | Maksimainen, M, Rouvinen, J. | Deposit date: | 2013-01-21 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of acidic beta-galactosidase from Aspergillus oryzae. Int.J.Biol.Macromol., 60C, 2013
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6EK3
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![BU of 6ek3 by Molmil](/molmil-images/mine/6ek3) | |
7Z1Y
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![BU of 7z1y by Molmil](/molmil-images/mine/7z1y) | PARP15 catalytic domain in complex with OUL245 | Descriptor: | DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15, [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2022-02-25 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | [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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7Z1V
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![BU of 7z1v by Molmil](/molmil-images/mine/7z1v) | PARP15 catalytic domain in complex with OUL208 | Descriptor: | 6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2022-02-25 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | [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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7Z2O
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![BU of 7z2o by Molmil](/molmil-images/mine/7z2o) | PARP15 catalytic domain in complex with OUL215 | Descriptor: | 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2022-02-28 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | [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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7Z2Q
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![BU of 7z2q by Molmil](/molmil-images/mine/7z2q) | PARP15 catalytic domain in complex with OUL232 | Descriptor: | 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2022-02-28 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | [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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7Z1W
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![BU of 7z1w by Molmil](/molmil-images/mine/7z1w) | PARP15 catalytic domain in complex with OUL246 | Descriptor: | 6-chloranyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2022-02-25 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | [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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7R5D
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![BU of 7r5d by Molmil](/molmil-images/mine/7r5d) | PARP15 catalytic domain in complex with OUL234 | Descriptor: | 6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Lehtio, L. | Deposit date: | 2022-02-10 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | [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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7R3L
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![BU of 7r3l by Molmil](/molmil-images/mine/7r3l) | PARP14 catalytic domain in complex with OUL40 | Descriptor: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, CHLORIDE ION, Poly [ADP-ribose] polymerase 14, ... | Authors: | Maksimainen, M.M, Murthy, S, Lehtio, L. | Deposit date: | 2022-02-07 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | [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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7R3O
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![BU of 7r3o by Molmil](/molmil-images/mine/7r3o) | PARP15 catalytic domain in complex with OUL40 | Descriptor: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | Authors: | Maksimainen, M.M, Murthy, S, Lehtio, L. | Deposit date: | 2022-02-07 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | [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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3TTS
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![BU of 3tts by Molmil](/molmil-images/mine/3tts) | Crystal structure of beta-galactosidase from Bacillus circulans sp. alkalophilus | Descriptor: | Beta-galactosidase, ZINC ION | Authors: | Maksimainen, M, Hakulinen, N, Rouvinen, J. | Deposit date: | 2011-09-15 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structural analysis, enzymatic characterization, and catalytic mechanisms of beta-galactosidase from Bacillus circulans sp. alkalophilus. Febs J., 279, 2012
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3TTY
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![BU of 3tty by Molmil](/molmil-images/mine/3tty) | Crystal structure of beta-galactosidase from Bacillus circulans sp. alkalophilus in complex with galactose | Descriptor: | Beta-galactosidase, ZINC ION, alpha-D-galactopyranose | Authors: | Maksimainen, M, Hakulinen, N, Rouvinen, J. | Deposit date: | 2011-09-15 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural analysis, enzymatic characterization, and catalytic mechanisms of beta-galactosidase from Bacillus circulans sp. alkalophilus. Febs J., 279, 2012
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3OG2
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![BU of 3og2 by Molmil](/molmil-images/mine/3og2) | Native crystal structure of Trichoderma reesei beta-galactosidase | Descriptor: | 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, ... | Authors: | Maksimainen, M, Rouvinen, J. | Deposit date: | 2010-08-16 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structures of Trichoderma reesei beta-galactosidase reveal conformational changes in the active site J.Struct.Biol., 174, 2011
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3OGV
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![BU of 3ogv by Molmil](/molmil-images/mine/3ogv) | Complex structure of beta-galactosidase from Trichoderma reesei with PETG | Descriptor: | 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, ... | Authors: | Maksimainen, M, Rouvinen, J. | Deposit date: | 2010-08-17 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structures of Trichoderma reesei beta-galactosidase reveal conformational changes in the active site J.Struct.Biol., 174, 2011
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3OGR
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![BU of 3ogr by Molmil](/molmil-images/mine/3ogr) | Complex structure of beta-galactosidase from Trichoderma reesei with galactose | Descriptor: | 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, ... | Authors: | Maksimainen, M, Rouvinen, J. | Deposit date: | 2010-08-17 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of Trichoderma reesei beta-galactosidase reveal conformational changes in the active site J.Struct.Biol., 174, 2011
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3OGS
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![BU of 3ogs by Molmil](/molmil-images/mine/3ogs) | Complex structure of beta-galactosidase from Trichoderma reesei with IPTG | Descriptor: | 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, ... | Authors: | Maksimainen, M, Rouvinen, J. | Deposit date: | 2010-08-17 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of Trichoderma reesei beta-galactosidase reveal conformational changes in the active site J.Struct.Biol., 174, 2011
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7OSS
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![BU of 7oss by Molmil](/molmil-images/mine/7oss) | PARP15 catalytic domain in complex with OUL194 | Descriptor: | 8-phenylmethoxy-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 (1.5 Å) | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs. Bioorg.Med.Chem., 52, 2021
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7OSX
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![BU of 7osx by Molmil](/molmil-images/mine/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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7OSP
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![BU of 7osp by Molmil](/molmil-images/mine/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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7OTF
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![BU of 7otf by Molmil](/molmil-images/mine/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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7OQQ
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![BU of 7oqq by Molmil](/molmil-images/mine/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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7OUX
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![BU of 7oux by Molmil](/molmil-images/mine/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
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![BU of 7oth by Molmil](/molmil-images/mine/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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7OUW
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![BU of 7ouw by Molmil](/molmil-images/mine/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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7PWP
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![BU of 7pwp by Molmil](/molmil-images/mine/7pwp) | PARP15 catalytic domain in complex with OUL221 | Descriptor: | 4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide, DIMETHYL SULFOXIDE, 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 (2.1 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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