6U6T
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![BU of 6u6t by Molmil](/molmil-images/mine/6u6t) | Neuronal growth regulator 1 (NEGR1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuronal growth regulator 1, ... | Authors: | Machius, M, Venkannagari, H, Misra, A, Rudenko, G. | Deposit date: | 2019-08-30 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes. J.Mol.Biol., 432, 2020
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6U7N
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![BU of 6u7n by Molmil](/molmil-images/mine/6u7n) | Crystal structure of neurotrimin (NTM) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Neurotrimin, ... | Authors: | Machius, M, Venkannagari, H, Misra, A, Rudenko, G, Rush, S. | Deposit date: | 2019-09-03 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.321 Å) | Cite: | Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes. J.Mol.Biol., 432, 2020
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7R3Z
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![BU of 7r3z by Molmil](/molmil-images/mine/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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8I8A
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![BU of 8i8a by Molmil](/molmil-images/mine/8i8a) | |
8I8C
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![BU of 8i8c by Molmil](/molmil-images/mine/8i8c) | |
8I8B
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![BU of 8i8b by Molmil](/molmil-images/mine/8i8b) | Outer shell and inner layer structures of Autographa californica multiple nucleopolyhedrovirus (AcMNPV) | Descriptor: | 38K, AcOrf-109 peptide, Early 49 Daa protein, ... | Authors: | Jia, X, Gao, Y, Zhang, Q. | Deposit date: | 2023-02-03 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (4.31 Å) | Cite: | Architecture of the baculovirus nucleocapsid revealed by cryo-EM. Nat Commun, 14, 2023
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6EK3
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![BU of 6ek3 by Molmil](/molmil-images/mine/6ek3) | |
5ADS
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![BU of 5ads by Molmil](/molmil-images/mine/5ads) | |
5AKU
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![BU of 5aku by Molmil](/molmil-images/mine/5aku) | Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1,2, 3,4-tetrahydroquinazolin-4-one | Descriptor: | 2-(4-tert-butylphenyl)-1,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Lehtio, L. | Deposit date: | 2015-03-05 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5AL2
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![BU of 5al2 by Molmil](/molmil-images/mine/5al2) | Crystal structure of TNKS2 in complex with 2-(4-(propan-2-yl)phenyl)- 1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | Descriptor: | (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Lehtio, L. | Deposit date: | 2015-03-06 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5AL5
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![BU of 5al5 by Molmil](/molmil-images/mine/5al5) | Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4-yl)methyl) piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one | Descriptor: | 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Lehtio, L. | Deposit date: | 2015-03-06 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5AL1
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![BU of 5al1 by Molmil](/molmil-images/mine/5al1) | Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1H, 2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | Descriptor: | 2-(4-TERT-BUTYLPHENYL)-1H,2H,3H,4H-PYRIDO(2,3-D)PYRIMIDIN-4-ONE, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Lehtio, L. | Deposit date: | 2015-03-06 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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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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7Z41
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![BU of 7z41 by Molmil](/molmil-images/mine/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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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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6UCM
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![BU of 6ucm by Molmil](/molmil-images/mine/6ucm) | Transcription factor DeltaFosB bZIP domain self-assembly, type-II crystal | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Protein fosB | Authors: | Yin, Z, Machius, M, Rudenko, G. | Deposit date: | 2019-09-16 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.424 Å) | Cite: | Self-assembly of the bZIP transcription factor Delta FosB. Curr Res Struct Biol, 2, 2020
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6UCL
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6UCI
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![BU of 6uci by Molmil](/molmil-images/mine/6uci) | Transcription factor DeltaFosB bZIP domain self-assembly, oxidized form | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein fosB | Authors: | Yin, Z, Machius, M, Rudenko, G. | Deposit date: | 2019-09-16 | Release date: | 2020-01-15 | Last modified: | 2020-07-01 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Self-assembly of the bZIP transcription factor Delta FosB. Curr Res Struct Biol, 2, 2020
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4BFP
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![BU of 4bfp by Molmil](/molmil-images/mine/4bfp) | Crystal structure of human tankyrase 2 in complex with WIKI4 | Descriptor: | 2-[3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione, SULFATE ION, TANKYRASE-2, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-03-21 | Release date: | 2013-06-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis and Selectivity of Tankyrase Inhibition by a Wnt Signaling Inhibitor Wiki4 Plos One, 8, 2013
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3UA9
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![BU of 3ua9 by Molmil](/molmil-images/mine/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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3U9H
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3U9Y
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![BU of 3u9y by Molmil](/molmil-images/mine/3u9y) | |