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5ADR
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BU of 5adr by Molmil
Crystal structure of human tankyrase 2 in complex with OD38
分子名称: BICARBONATE ION, N-(4-(((4-(4-methoxyphenyl)oxan-4- yl)methyl)carbamoyl)phenyl)-5-methylfuran-2-carboxamide, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-08-24
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5ADT
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BU of 5adt by Molmil
Crystal structure of human tankyrase 2 in complex with OD73
分子名称: BICARBONATE ION, N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-08-24
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5AL4
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BU of 5al4 by Molmil
Crystal structure of TNKS2 in complex with 2-(4-methylpiperazin-1-yl)- 3,4,5,6,7,8-hexahydroquinazolin-4-one
分子名称: 2-(4-METHYLPIPERAZIN-1-YL)-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
著者Nkizinkiko, Y, Lehtio, L.
登録日2015-03-06
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
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
3COU
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BU of 3cou by Molmil
Crystal structure of human Nudix motif 16 (NUDT16)
分子名称: Nucleoside diphosphate-linked moiety X motif 16
著者Tresaugues, L, Moche, 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, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Van Den Berg, S, Welin, M, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-03-29
公開日2008-04-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human Nudix motif 16 (NUDT16).
To be Published
6TKS
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BU of 6tks by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1720)
分子名称: Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide
著者Sowa, S.T, Lehtio, L.
登録日2019-11-28
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
6TG4
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BU of 6tg4 by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1700)
分子名称: N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide, Tankyrase-2, ZINC ION
著者Sowa, S.T, Lehtio, L.
登録日2019-11-15
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
6TKP
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BU of 6tkp by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1900)
分子名称: Tankyrase-2, ZINC ION, ~{N}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
著者Sowa, S.T, Lehtio, L.
登録日2019-11-28
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
6TKN
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BU of 6tkn by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1000)
分子名称: Tankyrase-2, ZINC ION, ~{N}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
著者Sowa, S.T, Lehtio, L.
登録日2019-11-28
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
3D3L
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BU of 3d3l by Molmil
The 2.6 A crystal structure of the lipoxygenase domain of human arachidonate 12-lipoxygenase, 12S-type
分子名称: Arachidonate 12-lipoxygenase, 12S-type, FE (III) ION
著者Tresaugues, L, Moche, 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, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Svensson, L, Thorsell, A.G, Van Den Berg, S, Welin, M, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-05-12
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the lipoxygenase domain of human Arachidonate 12-lipoxygenase, 12S-type.
To be Published
6TKR
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BU of 6tkr by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1704)
分子名称: Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide
著者Sowa, S.T, Lehtio, L.
登録日2019-11-28
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
6TKM
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BU of 6tkm by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1800)
分子名称: Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
著者Sowa, S.T, Lehtio, L.
登録日2019-11-28
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
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2024-05-29
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
6TKQ
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BU of 6tkq by Molmil
Tankyrase 2 in complex with an inhibitor (OM-2700)
分子名称: Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
著者Sowa, S.T, Lehtio, L.
登録日2019-11-28
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
4HKK
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BU of 4hkk by Molmil
Complex structure of human tankyrase 2 with apigenin
分子名称: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-15
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLK
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BU of 4hlk by Molmil
Crystal structure of Tankyrase 2 in complex with 4'-methylflavone
分子名称: 2-(4-methylphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLM
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BU of 4hlm by Molmil
Crystal structure of Tankyrase 2 in complex with 3',4'-Dihydroxyflavone
分子名称: 2-(3,4-dihydroxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HMH
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BU of 4hmh by Molmil
Crystal structure of tankyrase 2 in complex with 7,3-dihydroxyflavone
分子名称: 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-18
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLF
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BU of 4hlf by Molmil
Crystal structure of Tankyrase 2 in complex with 7,3',4'-Trihydroxyflavone
分子名称: 2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLG
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BU of 4hlg by Molmil
Crystal structure of Tankyrase 2 in complex with 3'-hydroxyflavone
分子名称: 2-(3-hydroxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HKI
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BU of 4hki by Molmil
Tankyrase 2 in complex with flavone
分子名称: 2-PHENYL-4H-CHROMEN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-15
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLH
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BU of 4hlh by Molmil
Crystal structure of Tankyrase 2 in complex with 4'-fluoroflavone
分子名称: 2-(4-fluorophenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HL5
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BU of 4hl5 by Molmil
Complex structure of human tankyrase 2 with 7-hydroxy -4'-methoxyflavone
分子名称: 7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-16
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HKN
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BU of 4hkn by Molmil
Complex structure of human tankyrase 2 with luteolin
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, SULFATE ION, Tankyrase-2, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-15
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013

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