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4UFU
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BU of 4ufu by Molmil
Crystal structure of human tankyrase 2 in complex with TA-12
分子名称: 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-19
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UVV
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BU of 4uvv by Molmil
Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methyl-1,2-dihydroisoquinolin-1-one
分子名称: 3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4UVU
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BU of 4uvu by Molmil
Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium
分子名称: 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
4UVS
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BU of 4uvs by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3- pentyl-1,2-dihydroisoquinolin-1-one
分子名称: 5-amino-3-pentylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
1WPP
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BU of 1wpp by Molmil
Structure of Streptococcus gordonii inorganic pyrophosphatase
分子名称: CHLORIDE ION, Probable manganese-dependent inorganic pyrophosphatase, SULFATE ION, ...
著者Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A.
登録日2004-09-09
公開日2004-11-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion
Biochemistry, 43, 2004
1WPN
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BU of 1wpn by Molmil
Crystal structure of the N-terminal core of Bacillus subtilis inorganic pyrophosphatase
分子名称: MANGANESE (II) ION, Manganese-dependent inorganic pyrophosphatase, SULFATE ION
著者Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A.
登録日2004-09-09
公開日2004-11-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion
Biochemistry, 43, 2004
1WPM
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BU of 1wpm by Molmil
Structure of Bacillus subtilis inorganic pyrophosphatase
分子名称: Manganese-dependent inorganic pyrophosphatase, SULFATE ION, TETRAETHYLENE GLYCOL
著者Fabrichniy, I.P, Lehtio, L, Salminen, A, Baykov, A.A, Lahti, R, Goldman, A.
登録日2004-09-09
公開日2004-11-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Studies of Metal Ions in Family II Pyrophosphatases: The Requirement for a Janus Ion
Biochemistry, 43, 2004
3B6E
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BU of 3b6e by Molmil
Crystal structure of human DECH-box RNA Helicase MDA5 (Melanoma differentiation-associated protein 5), DECH-domain
分子名称: Interferon-induced helicase C domain-containing protein 1, SODIUM ION
著者Karlberg, T, Welin, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, 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, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2007-10-29
公開日2007-11-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Human DECH-box RNA Helicase MDA5 (Melanoma differentiation-associated protein 5), DECH-domain.
To be Published
6R9V
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BU of 6r9v by Molmil
Crystal structure of Pediococcus acidilactici lactate oxidase A94G mutant
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Putative L-lactate oxidase, ...
著者Ashok, Y, Maksimainen, M.M, Lehtio, L.
登録日2019-04-04
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献FMN-dependent oligomerization of putative lactate oxidase from Pediococcus acidilactici.
Plos One, 15, 2020
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
6RY4
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BU of 6ry4 by Molmil
PARP15 catalytic domain in complex with 4-(3-carbamoylphenoxy)benzamide.
分子名称: 3-(4-aminocarbonylphenoxy)benzamide, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Murthy, S.N, Maksimainen, M.M, Lehtio, L.
登録日2019-06-10
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Evaluation of 3- and 4-Phenoxybenzamides as Selective Inhibitors of the Mono-ADP-Ribosyltransferase PARP10.
Chemistryopen, 2021
6F5B
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BU of 6f5b by Molmil
Structure of ARTD2/PARP2 WGR domain bound to double stranded DNA with 5'phosphate
分子名称: DNA (5'-D(P*GP*CP*CP*TP*AP*TP*AP*GP*GP*C)-3'), Poly [ADP-ribose] polymerase 2
著者Obaji, E, Haikarainen, T, Lehtio, L.
登録日2017-12-01
公開日2018-10-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for DNA break recognition by ARTD2/PARP2.
Nucleic Acids Res., 46, 2018
6F5F
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BU of 6f5f by Molmil
Structure of ARTD2/PARP2 WGR domain bound to double strand DNA with 5 nucleotide overhang and 5'phosphate
分子名称: DNA (5'-D(P*CP*GP*GP*TP*CP*GP*CP*CP*TP*AP*TP*AP*GP*GP*C)-3'), Poly [ADP-ribose] polymerase 2
著者Obaji, E, Haikarainen, T, Lehtio, L.
登録日2017-12-01
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structural basis for DNA break recognition by ARTD2/PARP2.
Nucleic Acids Res., 46, 2018
6F1K
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BU of 6f1k by Molmil
Structure of ARTD2/PARP2 WGR domain bound to double strand DNA without 5'phosphate
分子名称: CHLORIDE ION, DNA (5'-D(*GP*CP*CP*TP*AP*GP*CP*TP*AP*CP*GP*TP*AP*GP*CP*TP*AP*GP*GP*C)-3'), GLYCEROL, ...
著者Obaji, E, Haikarainen, T, Lehtio, L.
登録日2017-11-22
公開日2018-10-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for DNA break recognition by ARTD2/PARP2.
Nucleic Acids Res., 46, 2018
6RHT
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BU of 6rht by Molmil
Structure of Pediococcus acidilactici putative lactate oxidase WT protein
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Putative L-lactate oxidase
著者Ashok, Y, Maksimainen, M.M, Kilpelainen, P, Lehtio, L.
登録日2019-04-22
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献FMN-dependent oligomerization of putative lactate oxidase from Pediococcus acidilactici.
Plos One, 15, 2020
6RHS
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BU of 6rhs by Molmil
Crystal structure of Pediococcus acidilactici (Putative)lactate oxidase Refolded WT protein
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Putative L-lactate oxidase
著者Ashok, Y, Maksimainen, M.M, Kilpelainen, P, Lehtio, L.
登録日2019-04-22
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献FMN-dependent oligomerization of putative lactate oxidase from Pediococcus acidilactici.
Plos One, 15, 2020
3U9Y
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BU of 3u9y by Molmil
Crystal structure of human tankyrase 2 catalytic domain in complex with olaparib
分子名称: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Lehtio, L.
登録日2011-10-20
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of selective inhibition of human tankyrases.
J.Med.Chem., 55, 2012
3U9H
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BU of 3u9h by Molmil
Complex structure of human tankyrase 2 with nicotinamide
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, NICOTINAMIDE, ...
著者Narwal, M, Lehtio, L.
登録日2011-10-19
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of selective inhibition of human tankyrases.
J.Med.Chem., 55, 2012
3B7G
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BU of 3b7g by Molmil
Human DEAD-box RNA helicase DDX20, Conserved domain I (DEAD) in complex with AMPPNP (Adenosine-(Beta,gamma)-imidotriphosphate)
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ATP-dependent RNA helicase DDX20
著者Karlberg, T, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2007-10-30
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
3BER
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BU of 3ber by Molmil
Human DEAD-box RNA-helicase DDX47, conserved domain I in complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, Probable ATP-dependent RNA helicase DDX47, ...
著者Karlberg, T, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, 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, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
登録日2007-11-20
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
3BHD
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BU of 3bhd by Molmil
Crystal structure of human thiamine triphosphatase (THTPA)
分子名称: CHLORIDE ION, CITRIC ACID, GLYCEROL, ...
著者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, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
登録日2007-11-28
公開日2007-12-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Human Thiamine Triphosphatase.
To be Published
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
7Z41
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BU of 7z41 by Molmil
PARP15 catalytic domain in complex with OUL209
分子名称: 5,8-dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Murthy, S, Maksimainen, M.M, Lehtio, L.
登録日2022-03-03
公開日2023-01-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 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
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
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

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