Author results

3CC6
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CRYSTAL STRUCTURE OF KINASE DOMAIN OF PROTEIN TYROSINE KINASE 2 BETA (PTK2B)
Descriptor:Protein tyrosine kinase 2 beta, MAGNESIUM ION, GLYCEROL
Authors:Busam, R.D., Lehtio, L., Karlberg, T., Arrowsmith, C.H., Bountra, C., Collins, R., Dahlgren, L.G., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Helleday, T., Herman, M.D., Johansson, A., Johansson, I., Kallas, A., Kotenyova, T., 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., Berglund, H., Structural Genomics Consortium (SGC)
Deposit date:2008-02-25
Release date:2008-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Protein Tyrosine Kinase 2 Beta (PTK2B) Kinase domain.
To be Published
3C49
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HUMAN POLY(ADP-RIBOSE) POLYMERASE 3, CATALYTIC FRAGMENT IN COMPLEX WITH AN INHIBITOR KU0058948
Descriptor:Poly(ADP-ribose) polymerase 3, 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one
Authors:Lehtio, L., Karlberg, T., Arrowsmith, C.H., Berglund, H., Bountra, C., Busam, R., Collins, R., Dahlgren, L.G., Edwards, A.M., Flodin, S., Flores, A., Graslund, S., Hammarstrom, M., Helleday, T., Herman, M.D., Johansson, A., Johansson, I., Kallas, A., Kotenyova, T., Moche, M., Nilsson, M.E., Nordlund, P., Nyman, T., Persson, C., Sagemark, J., Svensson, L., Thorsell, A.G., Tresaugues, L., Van den Berg, S., Welin, M., Weigelt, J., Structural Genomics Consortium (SGC)
Deposit date:2008-01-29
Release date:2008-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
4N1T
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STRUCTURE OF HUMAN MTH1 IN COMPLEX WITH TH287
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine, SULFATE ION
Authors:Berntsson, R.P.-A., Jemth, A., Gustafsson, R., Svensson, L.M., Helleday, T., Stenmark, P.
Deposit date:2013-10-04
Release date:2014-04-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Nature, 508, 2014
4N1U
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STRUCTURE OF HUMAN MTH1 IN COMPLEX WITH TH588
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION
Authors:Berntsson, R.P.-A., Jemth, A., Gustafsson, R., Svensson, L.M., Helleday, T., Stenmark, P.
Deposit date:2013-10-04
Release date:2014-04-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Nature, 508, 2014
6ETJ
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HUMAN PFKFB3 IN COMPLEX WITH KAN0438241
Descriptor:6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, DIMETHYL SULFOXIDE, FRUCTOSE-6-PHOSPHATE, ...
Authors:Gustafsson, N.M.S., Lundback, T., Farnegardh, K., Groth, P., Wiitta, E., Jonsson, M., Hallberg, K., Pennisi, R., Huguet Ninou, A., Martinsson, J., Norstrom, C., Schultz, J., Andersson, M., Markova, N., Marttila, P., Norin, M., Olin, T., Helleday, T.
Deposit date:2017-10-26
Release date:2018-11-07
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Targeting PFKFB3 radiosensitizes cancer cells and suppresses homologous recombination.
Nat Commun, 9, 2018
6G3X
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NATIVE STRUCTURE OF THE MOUSE 8-OXOGUANINE DNA GLYCOSYLASE MOGG1
Descriptor:N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Masuyer, G., Helleday, T., Stenmark, P.
Deposit date:2018-03-26
Release date:2018-11-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small-molecule inhibitor of OGG1 suppresses proinflammatory gene expression and inflammation.
Science, 362, 2018
6G3Y
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STRUCTURE OF THE MOUSE 8-OXOGUANINE DNA GLYCOSYLASE MOGG1 IN COMPLEX WITH LIGAND TH5675
Descriptor:N-glycosylase/DNA lyase, 4-(4-azanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide, NICKEL (II) ION, ...
Authors:Masuyer, G., Helleday, T., Stenmark, P.
Deposit date:2018-03-26
Release date:2018-11-28
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Small-molecule inhibitor of OGG1 suppresses proinflammatory gene expression and inflammation.
Science, 362, 2018
6G40
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STRUCTURE OF THE MOUSE 8-OXOGUANINE DNA GLYCOSYLASE MOGG1 IN COMPLEX WITH LIGAND TH9525
Descriptor:N-glycosylase/DNA lyase, ~{N}-(3-methoxy-4-methyl-phenyl)-4-(4-methoxy-2-oxidanylidene-3~{H}-benzimidazol-1-yl)piperidine-1-carboxamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Masuyer, G., Helleday, T., Stenmark, P.
Deposit date:2018-03-26
Release date:2019-04-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Small molecule inhibitor of OGG1 suppresses pro-inflammatory gene expression and inflammation
To Be Published
3ZR0
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CRYSTAL STRUCTURE OF HUMAN MTH1 IN COMPLEX WITH 8-OXO-DGMP
Descriptor:7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, SULFATE ION
Authors:Svensson, L.M., Jemth, A., Desroses, M., Loseva, O., Helleday, T., Hogbom, M., Stenmark, P.
Deposit date:2011-06-13
Release date:2011-07-27
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Human Mth1 and the 8-Oxo-Dgmp Product Complex.
FEBS Lett., 585, 2011
3ZR1
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CRYSTAL STRUCTURE OF HUMAN MTH1
Descriptor:7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, SULFATE ION
Authors:Svensson, L.M., Jemth, A., Desroses, M., Loseva, O., Helleday, T., Hogbom, M., Stenmark, P.
Deposit date:2011-06-13
Release date:2011-07-27
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Mth1 and the 8-Oxo-Dgmp Product Complex.
FEBS Lett., 585, 2011
5BON
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CRYSTAL STRUCTURE OF HUMAN NUDT15 (MTH2)
Descriptor:Probable 8-oxo-dGTP diphosphatase NUDT15, MAGNESIUM ION
Authors:Carter, M., Jemth, A.-S., Helleday, T., Stenmark, P.
Deposit date:2015-05-27
Release date:2015-08-05
Last modified:2015-08-12
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Crystal structure, biochemical and cellular activities demonstrate separate functions of MTH1 and MTH2.
Nat Commun, 6, 2015
5HZX
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CRYSTAL STRUCTURE OF ZEBRAFISH MTH1 IN COMPLEX WITH TH588
Descriptor:Nudix (Nucleoside diphosphate linked moiety X)-type motif 1, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION, ...
Authors:Narwal, M., Gustafsson, R., Brautigam, L., Pudelko, L., Jemth, A.-S., Gad, H., Karsten, S., Carreras-Puigvert, J., Homan, E., Berndt, C., Berglund, U.W., Helleday, T., Stenmark, P.
Deposit date:2016-02-03
Release date:2016-02-10
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hypoxic Signaling and the Cellular Redox Tumor Environment Determine Sensitivity to MTH1 Inhibition.
Cancer Res., 76, 2016
5LPG
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STRUCTURE OF NUDT15 IN COMPLEX WITH 6-THIO-GMP
Descriptor:Probable 8-oxo-dGTP diphosphatase NUDT15, MAGNESIUM ION, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Authors:Masuyer, G., Carter, M., Rehling, D., Stenmark, P., Helleday, T., Jemth, A.-S., Valerie, N.C.K., Homan, E., Herr, P., Bevc, L., Page, B.D.G., Hagenkort, A.
Deposit date:2016-08-12
Release date:2016-08-24
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:NUDT15 Hydrolyzes 6-Thio-DeoxyGTP to Mediate the Anticancer Efficacy of 6-Thioguanine.
Cancer Res., 76, 2016
5MZE
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CRYSTAL STRUCTURE OF MOUSE MTH1 WITH 8-OXO-DGTP
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Narwal, M., Jemth, A.-S., Helleday, T., Stenmark, P.
Deposit date:2017-01-31
Release date:2018-01-10
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
5MZF
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CRYSTAL STRUCTURE OF DOG MTH1 PROTEIN
Descriptor:MTH1 protein, SULFATE ION, ACETATE ION, ...
Authors:Narwal, M., Jemth, A.-S., Helleday, T., Stenmark, P.
Deposit date:2017-01-31
Release date:2018-01-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
5MZG
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CRYSTAL STRUCTURE OF MOUSE MTH1 IN COMPLEX WITH TH588
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION, ...
Authors:Narwal, M., Jemth, A.-S., Helleday, T., Stenmark, P.
Deposit date:2017-01-31
Release date:2018-01-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
5NGR
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CRYSTAL STRUCTURE OF HUMAN MTH1 IN COMPLEX WITH FRAGMENT INHIBITOR 8-(METHYLSULFANYL)-7H-PURIN-6-AMINE
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, 8-methylsulfanyl-7~{H}-purin-6-amine, SULFATE ION
Authors:Gustafsson, R., Rudling, A., Almlof, I., Homan, E., Scobie, M., Warpman Berglund, U., Helleday, T., Carlsson, J., Stenmark, P.
Deposit date:2017-03-20
Release date:2017-10-04
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
5NGS
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CRYSTAL STRUCTURE OF HUMAN MTH1 IN COMPLEX WITH INHIBITOR 6-[(2-PHENYLETHYL)SULFANYL]-7H-PURIN-2-AMINE
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine, SULFATE ION, ...
Authors:Gustafsson, R., Rudling, A., Almlof, I., Homan, E., Scobie, M., Warpman Berglund, U., Helleday, T., Carlsson, J., Stenmark, P.
Deposit date:2017-03-20
Release date:2017-10-04
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
5NGT
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CRYSTAL STRUCTURE OF HUMAN MTH1 IN COMPLEX WITH INHIBITOR 7-(FURAN-2-YL)-5-METHYL-1,3-BENZOXAZOL-2-AMINE
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine, SULFATE ION
Authors:Gustafsson, R., Rudling, A., Almlof, I., Homan, E., Scobie, M., Warpman Berglund, U., Helleday, T., Carlsson, J., Stenmark, P.
Deposit date:2017-03-20
Release date:2017-10-04
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
5OTM
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CRYSTAL STRUCTURE OF HUMAN MTH1 IN COMPLEX WITH O6-METHYL-DGMP
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ACETATE ION, ...
Authors:Gustafsson, R., Henriksson, L., Jemth, A.-S., Brautigam, L., Carreras Puigvert, J., Homan, E., Warpman Berglund, U., Helleday, T., Stenmark, P.
Deposit date:2017-08-22
Release date:2018-09-05
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP.
Nucleic Acids Res., 46, 2018
5OTN
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CRYSTAL STRUCTURE OF ZEBRAFISH MTH1 IN COMPLEX WITH O6-METHYL-DGMP
Descriptor:Nudix (Nucleoside diphosphate linked moiety X)-type motif 1, 6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE, GLYCEROL, ...
Authors:Gustafsson, R., Henriksson, L., Jemth, A.-S., Brautigam, L., Carreras Puigvert, J., Homan, E., Warpman Berglund, U., Helleday, T., Stenmark, P.
Deposit date:2017-08-22
Release date:2018-09-05
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP.
Nucleic Acids Res., 46, 2018
5TC4
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CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL METHYLENETETRAHYDROFOLATE DEHYDROGENASE-CYCLOHYDROLASE (MTHFD2) IN COMPLEX WITH LY345899 AND COFACTORS
Descriptor:Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Gustafsson, R., Jemth, A.-S., Gustafsson Sheppard, N., Farnegardh, K., Loseva, O., Wiita, E., Bonagas, N., Dahllund, L., Llona-Minguez, S., Haggblad, M., Henriksson, M., Andersson, Y., Homan, E., Helleday, T., Stenmark, P.
Deposit date:2016-09-14
Release date:2016-12-14
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structure of the Emerging Cancer Target MTHFD2 in Complex with a Substrate-Based Inhibitor.
Cancer Res., 77, 2017
6EHH
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CRYSTAL STRUCTURE OF MOUSE MTH1 MUTANT L116M WITH INHIBITOR TH588
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, NITRATE ION, ...
Authors:Gustafsson, R., Narwal, M., Jemth, A.-S., Almlof, I., Warpman Berglund, U., Helleday, T., Stenmark, P.
Deposit date:2017-09-13
Release date:2018-01-10
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity.
Biochemistry, 57, 2018
6FL4
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A. THALIANA NUDT1 IN COMPLEX WITH 8-OXO-DGTP
Descriptor:Nudix hydrolase 1, MAGNESIUM ION, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
Authors:Jemth, A.S., Scaletti-Hutchinson, E., Carter, M., Helleday, T., Stenmark, P.
Deposit date:2018-01-25
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A. thaliana NUDT1 in complex with 8-oxo-dGTP
To Be Published
2RF5
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CRYSTAL STRUCTURE OF HUMAN TANKYRASE 1- CATALYTIC PARP DOMAIN
Descriptor:Tankyrase-1, ZINC ION, GLYCEROL
Authors: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)
Deposit date:2007-09-28
Release date:2007-10-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Zinc binding catalytic domain of human tankyrase 1.
J.Mol.Biol., 379, 2008
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