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7OUX
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BU of 7oux by Molmil
PARP15 catalytic domain in complex with OUL228
分子名称: 8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-06-14
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OUW
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BU of 7ouw by Molmil
PARP15 catalytic domain in complex with OUL220
分子名称: 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-06-14
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OQQ
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BU of 7oqq by Molmil
PARP15 catalytic domain in complex with TIQ-A
分子名称: 4H-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-06-04
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OSS
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BU of 7oss by Molmil
PARP15 catalytic domain in complex with OUL194
分子名称: 8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-06-09
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7POX
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BU of 7pox by Molmil
TNKS2 in complex with OM-1700, treated with H2O2
分子名称: N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide, Poly [ADP-ribose] polymerase tankyrase-2
著者Sowa, S.T, Lehtio, L.
登録日2021-09-10
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The zinc-binding motif in tankyrases is required for the structural integrity of the catalytic ADP-ribosyltransferase domain.
Open Biology, 12, 2022
2UUR
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BU of 2uur by Molmil
N-terminal NC4 domain of collagen IX
分子名称: 1,2-ETHANEDIOL, COLLAGEN ALPHA-1(IX) CHAIN, SULFATE ION, ...
著者Leppanen, V.-M, Tossavainen, H, Permi, P, Lehtio, L, Ronnholm, G, Goldman, A, Kilpelainen, I, Pihlajamaa, T.
登録日2007-03-07
公開日2007-06-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the N-Terminal Nc4 Domain of Collagen Ix, a Zinc Binding Member of the Laminin-Neurexin-Sex Hormone Binding Globulin (Lns) Domain Family.
J.Biol.Chem., 282, 2007
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
4L09
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BU of 4l09 by Molmil
Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-4H-chromen-2-yl)benzoic acid
分子名称: 4-(4-oxo-4H-chromen-2-yl)benzoic acid, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-05-31
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L31
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BU of 4l31 by Molmil
Tankyrase 2 in complex with methyl 4-(4-oxochromen-2-yl)benzoate
分子名称: GLYCEROL, SULFATE ION, Tankyrase-2, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-05
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4KZU
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BU of 4kzu by Molmil
Crystal structure of human tankyrase 2 in complex with 4' -bromo flavone
分子名称: 2-(4-bromophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-05-30
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L32
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BU of 4l32 by Molmil
Tankyrase 2 in complex with 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
分子名称: 2-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-05
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L34
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BU of 4l34 by Molmil
Tankyrase 2 in complex with 4'-tetrazole flavone
分子名称: 2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-05
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4KZQ
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BU of 4kzq by Molmil
Crystal structure of human tankyrase 2 in complex with 4' -hydroxy flavone
分子名称: 2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, SULFATE ION, Tankyrase-2, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-05-30
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L2F
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BU of 4l2f by Molmil
Tankyrase 2 in complex with 6-chloro flavone
分子名称: 6-chloro-2-phenyl-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-04
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L2K
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BU of 4l2k by Molmil
Tankyrase 2 in complex with 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one
分子名称: 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-04
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L0B
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BU of 4l0b by Molmil
Tankyrase 2 in complex with 4'-dimethylamino flavone
分子名称: 2-[4-(dimethylamino)phenyl]-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-05-31
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013

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