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PDB: 42 件
4KRS
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BU of 4krs by Molmil
Tankyrase-1 complexed with small molecule inhibitor
分子名称: 4-tert-butyl-N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide, SULFATE ION, Tankyrase-1, ...
著者Stams, T, Kirby, C.
登録日2013-05-17
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure-Efficiency Relationship of [1,2,4]Triazol-3-ylamines as Novel Nicotinamide Isosteres that Inhibit Tankyrases.
J.Med.Chem., 56, 2013
4K4E
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BU of 4k4e by Molmil
Co-crystal structure of tnks1 with compound 52 [N~2-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide]
分子名称: N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2013-04-12
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
4MSK
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BU of 4msk by Molmil
Co-crystal structure of tankyrase 1 with compound 34
分子名称: 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2013-09-18
公開日2013-12-25
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
2RF5
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BU of 2rf5 by Molmil
Crystal structure of human tankyrase 1- catalytic PARP domain
分子名称: GLYCEROL, Tankyrase-1, ZINC ION
著者Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
登録日2007-09-28
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Zinc binding catalytic domain of human tankyrase 1.
J.Mol.Biol., 379, 2008
4OA7
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BU of 4oa7 by Molmil
Crystal structure of Tankyrase1 in complex with IWR1
分子名称: 4-[(3aR,4R,7S,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
著者Zhang, X, He, H.
登録日2014-01-03
公開日2015-01-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Disruption of Wnt/ beta-Catenin Signaling and Telomeric Shortening Are Inextricable Consequences of Tankyrase Inhibition in Human Cells.
Mol.Cell.Biol., 35, 2015
4U6A
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BU of 4u6a by Molmil
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2H)-one, GLYCEROL, ...
著者Oliver, A.W.
登録日2014-07-28
公開日2015-07-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Design and discovery of 3-aryl-5-substituted-isoquinolin-1- ones as potent and selective tankyrase inhibitors
To be published
4I9I
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BU of 4i9i by Molmil
Crystal structure of tankyrase 1 with compound 4
分子名称: N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2012-12-05
公開日2013-02-06
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket.
J.Med.Chem., 56, 2013
5KNI
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Crystal Structure of the wild-type SAM domain of human Tankyrase-1
分子名称: Tankyrase-1
著者Pascal, J.M, McCauley, M, Langelier, M.F, Riccio, A.A.
登録日2016-06-28
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tankyrase Sterile alpha Motif Domain Polymerization Is Required for Its Role in Wnt Signaling.
Structure, 24, 2016
5JU5
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Crystal structure of the human Tankyrase 1 (TNKS) SAM domain (D1055R), crystal form 1
分子名称: Tankyrase-1
著者Guetter, S, Mariotti, L, Cronin, N.
登録日2016-05-10
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tankyrase Requires SAM Domain-Dependent Polymerization to Support Wnt-beta-Catenin Signaling.
Mol.Cell, 63, 2016
4UUH
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BU of 4uuh by Molmil
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ...
著者Oliver, A.W, Rajasekaran, M.B, Pearl, L.H.
登録日2014-07-28
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1- Ones as Potent and Selective Tankyrase Inhibitors
Medchemcommm, 6, 2015
4LI8
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BU of 4li8 by Molmil
TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
分子名称: 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide, SULFATE ION, Tankyrase-1, ...
著者Kirby, C.A, Stams, T.
登録日2013-07-02
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.521 Å)
主引用文献Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor.
J.Med.Chem., 56, 2013
4W5S
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BU of 4w5s by Molmil
Tankyrase in complex with compound
分子名称: 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ...
著者Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T.
登録日2014-08-18
公開日2015-05-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
5ETY
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BU of 5ety by Molmil
Crystal Structure of human Tankyrase-1 bound to K-756
分子名称: 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one, Tankyrase-1, ZINC ION
著者Takahashi, Y, Miyagi, H, Suzuki, M, Saito, J.
登録日2015-11-18
公開日2016-06-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Discovery and Characterization of K-756, a Novel Wnt/ beta-Catenin Pathway Inhibitor Targeting Tankyrase
Mol.Cancer Ther., 15, 2016
5JTI
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BU of 5jti by Molmil
Crystal structure of the human Tankyrase 1 (TNKS) SAM domain (D1055R), crystal form 2
分子名称: Tankyrase-1
著者Guetter, S, Mariotti, L, Cronin, N.
登録日2016-05-09
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Tankyrase Requires SAM Domain-Dependent Polymerization to Support Wnt-beta-Catenin Signaling.
Mol.Cell, 63, 2016
4K4F
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BU of 4k4f by Molmil
Co-crystal structure of TNKS1 with compound 18 [4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide]
分子名称: 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
著者Huang, X, Bregman, H, Wilson, C, DiMauro, E, Gunaydin, H.
登録日2013-04-12
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
5JHQ
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BU of 5jhq by Molmil
ARCs 1-3 of human Tankyrase-1 bound to a peptide derived from IRAP
分子名称: Peptide derived from insulin-responsive aminopeptidase (IRAP), Tankyrase-1
著者Eisemann, T, Pascal, J.M.
登録日2016-04-21
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Tankyrase-1 Ankyrin Repeats Form an Adaptable Binding Platform for Targets of ADP-Ribose Modification.
Structure, 24, 2016
4UW1
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BU of 4uw1 by Molmil
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, ...
著者Oliver, A.W, Rajasekaran, M.B, Pearl, L.H.
登録日2014-08-08
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1-Ones as Potent and Selective Tankyrase Inhibitors
Medchemcommm, 6, 2015
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