5OWS
| Crystal structure of TNKS2 in complex with 2-[4-(4-methyl-2-oxoimidazolidin-4-yl)phenyl]-3,4-dihydroquinazolin-4-one | Descriptor: | 2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-09-04 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5OWT
| Crystal structure of TNKS2 in complex with (5S)-5-methyl-5-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]imidazolidine-2,4-dione | Descriptor: | (5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione, SULFATE ION, Tankyrase-2, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-09-04 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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3UA9
| Crystal structure of human tankyrase 2 in complex with a selective inhibitor | Descriptor: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Narwal, M, Lehtio, L. | Deposit date: | 2011-10-21 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis of selective inhibition of human tankyrases. J.Med.Chem., 55, 2012
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2QQ2
| Crystal structure of C-terminal domain of Human acyl-CoA thioesterase 7 | Descriptor: | Cytosolic acyl coenzyme A thioester hydrolase | Authors: | Busam, R, Lehtio, L, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Herman, M.D, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-26 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Human acyl-CoA thioesterase 7. To be Published
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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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5FSX
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5FPG
| Crystal structure of human tankyrase 2 in complex with TA-92 | Descriptor: | 4-[3-(8-METHYL-4-OXO-3,4-DIHYDROQUINAZOLIN-2- YL)PROPANAMIDO]-N-(QUINOLIN-8-YL)BENZAMIDE, TANKYRASE-2, ZINC ION | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2015-11-30 | Release date: | 2016-12-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Design, Synthesis and Evaluation of Novel Dual- Binding Inhibitors of the Tankyrases and Wnt Signalling. To be Published
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3CC6
| Crystal structure of kinase domain of protein tyrosine kinase 2 beta (PTK2B) | Descriptor: | GLYCEROL, MAGNESIUM ION, Protein tyrosine kinase 2 beta | Authors: | Busam, R.D, Lehtio, L, Karlberg, T, Arrowsmith, C.H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-25 | Release date: | 2008-03-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Protein Tyrosine Kinase 2 Beta (PTK2B) Kinase domain. To be Published
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3C5N
| Structure of human TULP1 in complex with IP3 | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Tubby-related protein 1 | Authors: | Busam, R.D, Lehtio, L, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-31 | Release date: | 2008-04-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of human TULP1 in complex with IP3 To be published
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3L2B
| Crystal structure of the CBS and DRTGG domains of the regulatory region of Clostridium perfringens pyrophosphatase complexed with activator, diadenosine tetraphosphate | Descriptor: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Probable manganase-dependent inorganic pyrophosphatase | Authors: | Tuominen, H, Salminen, A, Oksanen, E, Jamsen, J, Heikkila, O, Lehtio, L, Magretova, N.N, Goldman, A, Baykov, A.A, Lahti, R. | Deposit date: | 2009-12-15 | Release date: | 2010-04-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal Structures of the CBS and DRTGG Domains of the Regulatory Region of Clostridiumperfringens Pyrophosphatase Complexed with the Inhibitor, AMP, and Activator, Diadenosine Tetraphosphate. J.Mol.Biol., 2010
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3L31
| Crystal structure of the CBS and DRTGG domains of the regulatory region of Clostridium perfringens pyrophosphatase complexed with the inhibitor, AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Probable manganase-dependent inorganic pyrophosphatase | Authors: | Tuominen, H, Salminen, A, Oksanen, E, Jamsen, J, Heikkila, O, Lehtio, L, Magretova, N.N, Goldman, A, Baykov, A.A, Lahti, R. | Deposit date: | 2009-12-16 | Release date: | 2010-04-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of the CBS and DRTGG Domains of the Regulatory Region of Clostridiumperfringens Pyrophosphatase Complexed with the Inhibitor, AMP, and Activator, Diadenosine Tetraphosphate. J.Mol.Biol., 2010
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1F9C
| CRYSTAL STRUCTURE OF MLE D178N VARIANT | Descriptor: | MANGANESE (II) ION, PROTEIN (MUCONATE CYCLOISOMERASE I) | Authors: | Kajander, T, Lehtio, L, Kahn, P.C, Goldman, A. | Deposit date: | 2000-07-10 | Release date: | 2001-03-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Buried charged surface in proteins. Structure Fold.Des., 8, 2000
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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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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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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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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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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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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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1WPM
| Structure of Bacillus subtilis inorganic pyrophosphatase | Descriptor: | Manganese-dependent inorganic pyrophosphatase, SULFATE ION, TETRAETHYLENE GLYCOL | Authors: | Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A. | Deposit date: | 2004-09-09 | Release date: | 2004-11-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion Biochemistry, 43, 2004
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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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1NU5
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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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2ENX
| Structure of the family II inorganic pyrophosphatase from Streptococcus agalactiae at 2.8 resolution | Descriptor: | IMIDODIPHOSPHORIC ACID, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Rantanen, M.K, Lehtio, L, Rajagopal, L, Rubens, C.E, Goldman, A. | Deposit date: | 2007-03-28 | Release date: | 2007-05-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the Streptococcus agalactiae family II inorganic pyrophosphatase at 2.80 A resolution ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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