6F20
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![BU of 6f20 by Molmil](/molmil-images/mine/6f20) | Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative) | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ... | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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8RXR
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![BU of 8rxr by Molmil](/molmil-images/mine/8rxr) | Crystal structure of VPS34 in complex with inhibitor SB02024 | 分子名称: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | 登録日 | 2024-02-07 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy. Mol Oncol, 2024
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5NHY
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![BU of 5nhy by Molmil](/molmil-images/mine/5nhy) | BAY-707 in complex with MTH1 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, SULFATE ION, ... | 著者 | Ellermann, M, Eheim, A, Giese, A, Bunse, S, Nowak-Reppel, K, Neuhaus, R, Weiske, J, Quanz, M, Glasauer, A, Meyer, H, Queisser, N, Irlbacher, H, Bader, B, Rahm, F, Viklund, J, Andersson, M, Ericsson, U, Ginman, T, Forsblom, R, Lindstrom, J, Silvander, C, Tresaugues, L, Gorjanacz, M. | 登録日 | 2017-03-22 | 公開日 | 2017-07-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target. ACS Chem. Biol., 12, 2017
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4CML
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![BU of 4cml by Molmil](/molmil-images/mine/4cml) | Crystal Structure of INPP5B in complex with Phosphatidylinositol 3,4- bisphosphate | 分子名称: | 1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate, CHLORIDE ION, GLYCEROL, ... | 著者 | Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Flodin, S, Graslund, S, Karlberg, T, Moche, M, Nyman, T, Schuler, H, Silvander, C, Thorsell, A.G, Weigelt, J, Welin, M, Nordlund, P. | 登録日 | 2014-01-16 | 公開日 | 2014-04-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases. Structure, 22, 2014
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4CMN
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![BU of 4cmn by Molmil](/molmil-images/mine/4cmn) | Crystal structure of OCRL in complex with a phosphate ion | 分子名称: | GLYCEROL, INOSITOL POLYPHOSPHATE 5-PHOSPHATASE OCRL-1, MAGNESIUM ION, ... | 著者 | Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Flodin, S, Graslund, S, Karlberg, T, Nyman, T, Schuler, H, Silvander, C, Thorsell, A.G, Weigelt, J, Welin, M, Nordlund, P. | 登録日 | 2014-01-16 | 公開日 | 2014-04-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | 主引用文献 | Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases. Structure, 22, 2014
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5A7I
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![BU of 5a7i by Molmil](/molmil-images/mine/5a7i) | Crystal structure of INPP5B in complex with biphenyl 3,3',4,4',5,5'- hexakisphosphate | 分子名称: | Biphenyl 3,3',4,4',5,5'-hexakisphosphate, CHLORIDE ION, GLYCEROL, ... | 著者 | Tresaugues, L, Mills, S.J, Silvander, C, Cozier, G, Potter, B.V.L, Norldund, P. | 登録日 | 2015-07-06 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family. Biochemistry, 55, 2016
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5A7J
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![BU of 5a7j by Molmil](/molmil-images/mine/5a7j) | Crystal structure of INPP5B in complex with benzene 1,2,4,5- tetrakisphosphate | 分子名称: | (2,4,5-triphosphonooxyphenyl) dihydrogen phosphate, GLYCEROL, SULFATE ION, ... | 著者 | Tresaugues, L, Mills, S.J, Silvander, C, Cozier, G, Potter, B.V.L, Nordlund, P. | 登録日 | 2015-07-06 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family. Biochemistry, 55, 2016
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6F22
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![BU of 6f22 by Molmil](/molmil-images/mine/6f22) | Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative) | 分子名称: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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6F1X
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![BU of 6f1x by Molmil](/molmil-images/mine/6f1x) | Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative) | 分子名称: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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6F23
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![BU of 6f23 by Molmil](/molmil-images/mine/6f23) | Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative) | 分子名称: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ... | 著者 | Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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2XSQ
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![BU of 2xsq by Molmil](/molmil-images/mine/2xsq) | Crystal structure of human Nudix motif 16 (NUDT16) in complex with IMP and magnesium | 分子名称: | CHLORIDE ION, INOSINIC ACID, MAGNESIUM ION, ... | 著者 | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van den Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P. | 登録日 | 2010-09-29 | 公開日 | 2010-11-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Structural Basis for the Specificity of Human Nudt16 and its Regulation by Inosine Monophosphate. Plos One, 10, 2015
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3NR8
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![BU of 3nr8 by Molmil](/molmil-images/mine/3nr8) | Crystal structure of human SHIP2 | 分子名称: | CHLORIDE ION, Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 2 | 著者 | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | 登録日 | 2010-06-30 | 公開日 | 2010-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases Structure, 22, 2014
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3MTC
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![BU of 3mtc by Molmil](/molmil-images/mine/3mtc) | Crystal Structure of INPP5B in complex with phosphatidylinositol 4-phosphate | 分子名称: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, CHLORIDE ION, GLYCEROL, ... | 著者 | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | 登録日 | 2010-04-30 | 公開日 | 2010-06-30 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases Structure, 22, 2014
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3N9V
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![BU of 3n9v by Molmil](/molmil-images/mine/3n9v) | Crystal Structure of INPP5B | 分子名称: | CALCIUM ION, GLYCEROL, MAGNESIUM ION, ... | 著者 | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | 登録日 | 2010-05-31 | 公開日 | 2010-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases Structure, 22, 2014
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