5LOU
 
 | | human NUDT22 | | Descriptor: | Nucleoside diphosphate-linked moiety X motif 22, PHOSPHATE ION | | Authors: | Carter, M, Stenmark, P. | | Deposit date: | 2016-08-10 | | Release date: | 2017-09-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Human NUDT22 Is a UDP-Glucose/Galactose Hydrolase Exhibiting a Unique Structural Fold.
Structure, 26, 2018
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7B7V
 | | Structure of NUDT15 in complex with Acyclovir monophosphate | | Descriptor: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Rehling, D, Stenmark, P. | | Deposit date: | 2020-12-11 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | NUDT15 polymorphism influences the metabolism and therapeutic effects of acyclovir and ganciclovir.
Nat Commun, 12, 2021
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4N1U
 | | 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: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Nature, 508, 2014
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6FLS
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7QEL
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247 | | Descriptor: | (2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION | | Authors: | Davies, J.R, Scaletti, E.R, Stenmark, P. | | Deposit date: | 2021-12-03 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011247
To Be Published
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6ZJ9
 | | Crystal structure of Equus ferus caballus glutathione transferase A3-3 in complex with glutathione | | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase | | Authors: | Skerlova, J, Ismail, A, Lindstrom, H, Sjodin, B, Mannervik, B, Stenmark, P. | | Deposit date: | 2020-06-28 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants.
Environ Pollut, 268, 2021
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7AOP
 | | Structure of NUDT15 in complex with inhibitor TH8321 | | Descriptor: | 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | | Deposit date: | 2020-10-14 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir.
Cell Chem Biol, 28, 2021
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7AOM
 | | Structure of NUDT15 in complex with Ganciclovir triphosphate | | Descriptor: | Ganciclovir triphosphate, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | | Authors: | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | | Deposit date: | 2020-10-14 | | Release date: | 2021-06-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir.
Cell Chem Biol, 28, 2021
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6QNS
 | | Crystal structure of the binding domain of Botulinum Neurotoxin type B mutant I1248W/V1249W in complex with human synaptotagmin 1 and GD1a receptors | | Descriptor: | Botulinum neurotoxin type B, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Synaptotagmin-1 | | Authors: | Masuyer, G, Yin, L, Zhang, S, Miyashita, S.I, Dong, M, Stenmark, P. | | Deposit date: | 2019-02-12 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Characterization of a membrane binding loop leads to engineering botulinum neurotoxin B with improved therapeutic efficacy.
Plos Biol., 18, 2020
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7R0D
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4N1T
 | | Structure of human MTH1 in complex with TH287 | | Descriptor: | 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase, 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: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Nature, 508, 2014
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6EHH
 | | Crystal structure of mouse MTH1 mutant L116M with inhibitor TH588 | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | | 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: | 2024-01-17 | | 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
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5MZF
 | | Crystal structure of dog MTH1 protein | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. | | Deposit date: | 2017-01-31 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | 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
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5NGS
 | | Crystal structure of human MTH1 in complex with inhibitor 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-amine | | Descriptor: | 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE 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: | 2024-01-17 | | 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
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5MZE
 | | Crystal structure of mouse MTH1 with 8-oxo-dGTP | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, COPPER (II) ION, ... | | Authors: | Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. | | Deposit date: | 2017-01-31 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | 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
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5NQR
 | | Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | | Descriptor: | 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione, ADP-sugar pyrophosphatase | | Authors: | Carter, M, Stenmark, P. | | Deposit date: | 2017-04-21 | | Release date: | 2018-01-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells.
Nat Commun, 9, 2018
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4KA8
 | | Structure of Organellar OligoPeptidase | | Descriptor: | CHLORIDE ION, GLYCEROL, Oligopeptidase A, ... | | Authors: | Berntsson, R.P.-A, Kmiec, B, Teixeira, P.F, Svensson, L.M, Bakali, A, Glaser, E, Stenmark, P. | | Deposit date: | 2013-04-22 | | Release date: | 2013-09-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Organellar oligopeptidase (OOP) provides a complementary pathway for targeting peptide degradation in mitochondria and chloroplasts.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
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4KA7
 | | Structure of Organellar OligoPeptidase (E572Q) in complex with an endogenous substrate | | Descriptor: | CHLORIDE ION, GLYCEROL, Oligopeptidase A, ... | | Authors: | Berntsson, R.P.-A, Kmiec, B, Teixeira, P.F, Svensson, L.M, Bakali, A, Glaser, E, Stenmark, P. | | Deposit date: | 2013-04-22 | | Release date: | 2013-09-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Organellar oligopeptidase (OOP) provides a complementary pathway for targeting peptide degradation in mitochondria and chloroplasts.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
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8CEX
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8CEY
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233 | | Descriptor: | N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide | | Authors: | Kosenina, S, Scaletti, E.R, Stenmark, P. | | Deposit date: | 2023-02-02 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233
To Be Published
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7Q39
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7Q3C
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4LHF
 | | Crystal structure of a DNA binding protein from phage P2 | | Descriptor: | Regulatory protein cox | | Authors: | Berntsson, R.P.-A, Odegrip, R, Sehlen, W, Skaar, K, Svensson, L.M, Massad, T, Haggard-Ljungquist, E, Stenmark, P. | | Deposit date: | 2013-07-01 | | Release date: | 2014-03-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structural insight into DNA binding and oligomerization of the multifunctional Cox protein of bacteriophage P2.
Nucleic Acids Res., 42, 2014
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7AGJ
 | | Ribonucleotide Reductase R1 protein from Aquifex aeolicus | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Rehling, D, Scaletti, E.R, Stenmark, P. | | Deposit date: | 2020-09-22 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus.
Biochemistry, 61, 2022
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7PZ1
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH8535 | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide, GLYCEROL, ... | | Authors: | Scaletti, E.R, Helleday, T, Stenmark, P. | | Deposit date: | 2021-10-11 | | Release date: | 2022-11-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1.
Chemmedchem, 18, 2023
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