7PWA
 
 | | PARP15 catalytic domain in complex with OUL237 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(cyclopentylmethoxy)benzamide, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-10-06 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 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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7PWU
 | | PARP15 catalytic domain in complex with OUL256 | | Descriptor: | 6-(cyclopropylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-10-07 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 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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7PW3
 | | PARP15 catalytic domain in complex with OUL217 | | Descriptor: | 4-(cyclohexylmethoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Murthy, S, Lehtio, L. | | Deposit date: | 2021-10-06 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 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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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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7PWM
 | | PARP15 catalytic domain in complex with OUL252 | | Descriptor: | 4-(cyclohexylmethoxy)-2-methoxy-benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-10-07 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 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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7PX7
 | | PARP15 catalytic domain in complex with OUL242 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2021-10-08 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 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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7AEO
 | | Human ARTD2 in complex with DNA oligonucleotides | | Descriptor: | DNA, Poly [ADP-ribose] polymerase 2, SULFATE ION | | Authors: | Obaji, E, Maksimainen, M.M, Galera-Prat, A, Lehtio, L. | | Deposit date: | 2020-09-17 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Activation of PARP2/ARTD2 by DNA damage induces conformational changes relieving enzyme autoinhibition.
Nat Commun, 12, 2021
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6Y4Z
 | | The crystal structure of human MACROD2 in space group P43212 | | Descriptor: | L(+)-TARTARIC ACID, Thioredoxin 1,ADP-ribose glycohydrolase MACROD2 | | Authors: | Wazir, S, Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2020-02-24 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multiple crystal forms of human MacroD2.
Acta Crystallogr.,Sect.F, 76, 2020
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6Y4Y
 | | The crystal structure of human MACROD2 in space group P41212 | | Descriptor: | L(+)-TARTARIC ACID, Thioredoxin 1,ADP-ribose glycohydrolase MACROD2 | | Authors: | Wazir, S, Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2020-02-24 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Multiple crystal forms of human MacroD2.
Acta Crystallogr.,Sect.F, 76, 2020
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6Y73
 | | The crystal structure of human MACROD2 in space group P43 | | Descriptor: | ADP-ribose glycohydrolase MACROD2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Wazir, S, Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2020-02-28 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Multiple crystal forms of human MacroD2.
Acta Crystallogr.,Sect.F, 76, 2020
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6R9V
 | | Crystal structure of Pediococcus acidilactici lactate oxidase A94G mutant | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Putative L-lactate oxidase, ... | | Authors: | Ashok, Y, Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2019-04-04 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | FMN-dependent oligomerization of putative lactate oxidase from Pediococcus acidilactici.
Plos One, 15, 2020
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6RHT
 | | Structure of Pediococcus acidilactici putative lactate oxidase WT protein | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Putative L-lactate oxidase | | Authors: | Ashok, Y, Maksimainen, M.M, Kilpelainen, P, Lehtio, L. | | Deposit date: | 2019-04-22 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | FMN-dependent oligomerization of putative lactate oxidase from Pediococcus acidilactici.
Plos One, 15, 2020
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6RHS
 | | Crystal structure of Pediococcus acidilactici (Putative)lactate oxidase Refolded WT protein | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Putative L-lactate oxidase | | Authors: | Ashok, Y, Maksimainen, M.M, Kilpelainen, P, Lehtio, L. | | Deposit date: | 2019-04-22 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | FMN-dependent oligomerization of putative lactate oxidase from Pediococcus acidilactici.
Plos One, 15, 2020
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6RY4
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7Z41
 | | PARP15 catalytic domain in complex with OUL209 | | Descriptor: | 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Murthy, S, Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2022-03-03 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 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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7R59
 | | PARP2 catalytic domain in complex with OUL245 | | Descriptor: | GLYCEROL, Poly [ADP-ribose] polymerase 2, [1,2,4]triazolo[3,4-b][1,3]benzothiazol-6-ol | | Authors: | Galera-Prat, A, 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 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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7R3Z
 | | Tankyrase 2 catalytic domain in complex with OUL40 | | Descriptor: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | | Authors: | Murthy, S, Venkannagari, H, Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2022-02-08 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 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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7R4A
 | | PARP15 catalytic domain in complex with OUL188 | | Descriptor: | 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Murthy, S, Maksimainen, M.M, Lehtio, L. | | Deposit date: | 2022-02-08 | | 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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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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7OLJ
 | | Tankyrase 2 in complex with an inhibitor (OUL219) | | Descriptor: | 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | | Authors: | Sowa, S.T, Lehtio, L. | | Deposit date: | 2021-05-20 | | Release date: | 2021-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
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7OM1
 | | Tankyrase 2 in complex with an inhibitor (OUL220) | | Descriptor: | 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | | Authors: | Sowa, S.T, Lehtio, L. | | Deposit date: | 2021-05-21 | | 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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7OMC
 | | Tankyrase 2 in complex with an inhibitor (OUL228) | | Descriptor: | 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | | Authors: | Sowa, S.T, Lehtio, L. | | Deposit date: | 2021-05-21 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
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8R79
 | | The D2 domain of human DTX3L | | Descriptor: | E3 ubiquitin-protein ligase DTX3L, SULFATE ION | | Authors: | Vela-Rodriguez, C, Lehtio, L, Maksimainen, M, Duman, R, Wagner, A, Glumoff, T. | | Deposit date: | 2023-11-24 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | 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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8TV6
 | | SARS-CoV-2 Mac1 in complex with MDOLL-0169 | | Descriptor: | (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, ... | | Authors: | Wazir, S, Maksimainen, M, Lehtio, L. | | Deposit date: | 2023-08-17 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | 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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8TV7
 | | SARS-CoV-2 Mac1 in complex with MDOLL-0229 | | Descriptor: | (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 | | Authors: | Wazir, S, Maksimainen, M, Lehtio, L. | | Deposit date: | 2023-08-17 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 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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