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7AYY
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BU of 7ayy by Molmil
Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with activator TH10785
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, N-glycosylase/DNA lyase, ...
Authors:Masuyer, G, Davies, J.R, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AYZ
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BU of 7ayz by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with activator TH10785
Descriptor: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine
Authors:Masuyer, G, Davies, J.R, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AZ0
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BU of 7az0 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with TH12161
Descriptor: 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Davies, J.R, Masuyer, G, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
5LOU
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BU of 5lou by Molmil
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:2019-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human NUDT22 Is a UDP-Glucose/Galactose Hydrolase Exhibiting a Unique Structural Fold.
Structure, 26, 2018
5NQR
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BU of 5nqr by Molmil
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
6RLW
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BU of 6rlw by Molmil
Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with inhibitor TH5487
Descriptor: 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(4-iodophenyl)piperidine-1-carboxamide, N-glycosylase/DNA lyase
Authors:Masuyer, G, Stenmark, P.
Deposit date:2019-05-03
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting OGG1 arrests cancer cell proliferation by inducing replication stress.
Nucleic Acids Res., 48, 2020
2OXC
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BU of 2oxc by Molmil
Human DEAD-box RNA helicase DDX20, DEAD domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Probable ATP-dependent RNA helicase DDX20
Authors:Karlberg, T, Ogg, D, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Lehtio, L, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2007-02-20
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Human DEAD-box RNA helicase DDX20
To be Published
2QK4
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BU of 2qk4 by Molmil
Human glycinamide ribonucleotide synthetase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Lehtio, L, Welin, M, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Herman, M.D, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-07-10
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural studies of tri-functional human GART.
Nucleic Acids Res., 38, 2010
2QQ2
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BU of 2qq2 by Molmil
Crystal structure of C-terminal domain of Human acyl-CoA thioesterase 7
Descriptor: Cytosolic acyl coenzyme A thioester hydrolase
Authors:Busam, R, Lehtio, L, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Herman, M.D, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
Deposit date:2007-07-26
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human acyl-CoA thioesterase 7.
To be Published
2UVQ
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BU of 2uvq by Molmil
Crystal structure of human uridine-cytidine kinase 1 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, URIDINE-CYTIDINE KINASE 1
Authors:Kosinska, U, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E.P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Uppsten, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Nordlund, P.
Deposit date:2007-03-13
Release date:2007-03-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of Human Uridine-Cytidine Kinase 1
To be Published
7P3F
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BU of 7p3f by Molmil
Streptomyces coelicolor dATP/ATP-loaded NrdR in complex with its cognate DNA
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (50-MER), ...
Authors:Martinez-Carranza, M, Stenmark, P.
Deposit date:2021-07-07
Release date:2022-05-11
Last modified:2022-06-08
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:A nucleotide-sensing oligomerization mechanism that controls NrdR-dependent transcription of ribonucleotide reductases.
Nat Commun, 13, 2022
7P3Q
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BU of 7p3q by Molmil
Streptomyces coelicolor dATP/ATP-loaded NrdR octamer
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Transcriptional repressor NrdR, ...
Authors:Martinez-Carranza, M, Stenmark, P.
Deposit date:2021-07-08
Release date:2022-05-11
Last modified:2022-06-08
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:A nucleotide-sensing oligomerization mechanism that controls NrdR-dependent transcription of ribonucleotide reductases.
Nat Commun, 13, 2022
7P37
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BU of 7p37 by Molmil
Streptomyces coelicolor ATP-loaded NrdR
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Transcriptional repressor NrdR, ZINC ION
Authors:Martinez-Carranza, M, Stenmark, P.
Deposit date:2021-07-07
Release date:2022-05-11
Last modified:2022-06-08
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:A nucleotide-sensing oligomerization mechanism that controls NrdR-dependent transcription of ribonucleotide reductases.
Nat Commun, 13, 2022
2ANI
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BU of 2ani by Molmil
Crystal structure of the F127Y mutant of Ribonucleotide Reductase R2 from Chlamydia trachomatis
Descriptor: FE (III) ION, LEAD (II) ION, Ribonucleoside-diphosphate reductase beta subunit
Authors:Hogbom, M, Stenmark, P, Nordlund, P.
Deposit date:2005-08-11
Release date:2006-07-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the high-valent FeIIIFeIV state in ribonucleotide reductase (RNR) of Chlamydia trachomatis--combined EPR, 57Fe-, 1H-ENDOR and X-ray studies.
Biochim.Biophys.Acta, 1774, 2007
2FIM
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BU of 2fim by Molmil
Structure of the C-terminal domain of Human Tubby-like protein 1
Descriptor: 3-(N,N-DIMETHYLOCTYLAMMONIO)PROPANESULFONATE, SULFATE ION, Tubby related protein 1
Authors:Hallberg, B.M, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Persson, C.
Deposit date:2005-12-29
Release date:2006-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the C-terminal domain of Human Tubby-like protein 1
To be published
2F73
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BU of 2f73 by Molmil
Crystal structure of human fatty acid binding protein 1 (FABP1)
Descriptor: Fatty acid-binding protein, liver
Authors:Kursula, P, Thorsell, A.G, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Holmberg Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, van den Berg, S, Weigelt, J, Hallberg, B.M, Structural Genomics Consortium (SGC)
Deposit date:2005-11-30
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human FABP1
To be Published
2FVZ
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BU of 2fvz by Molmil
Human Inositol Monophosphosphatase 2
Descriptor: Inositol monophosphatase 2
Authors:Ogg, D, Hallberg, B.M, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Van Den Berg, S, Weigelt, J, Thorsell, A.G, Structural Genomics Consortium (SGC)
Deposit date:2006-01-31
Release date:2006-02-21
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Human Inositol Monophosphatase 2
To be published
5LR0
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BU of 5lr0 by Molmil
Binding domain of Botulinum Neurotoxin DC in complex with SialylT
Descriptor: Botulinum neurotoxin D/C protein, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ...
Authors:Berntsson, R.P.-A, Stenmark, P.
Deposit date:2016-08-18
Release date:2017-08-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis for the unique ganglioside and cell membrane recognition mechanism of botulinum neurotoxin DC.
Nat Commun, 8, 2017
5LOR
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BU of 5lor by Molmil
human NUDT22
Descriptor: Nucleoside diphosphate-linked moiety X motif 22, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Carter, M, Stenmark, P.
Deposit date:2016-08-09
Release date:2017-08-16
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:Structural and functional studies of human NUDT22
To Be Published
5LUZ
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BU of 5luz by Molmil
Structure of Human Neurolysin (E475Q) in complex with neurotensin peptide products
Descriptor: CHLORIDE ION, GLYCEROL, Neurolysin, ...
Authors:Masuyer, G, Berntsson, R.P.-A, Teixeira, P.F, Kmiec, B, Glaser, E, Stenmark, P.
Deposit date:2016-09-12
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of Peptide Binding and Cleavage by the Human Mitochondrial Peptidase Neurolysin.
J. Mol. Biol., 430, 2018
5LV0
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BU of 5lv0 by Molmil
Structure of Human Neurolysin (E475Q) in complex with amyloid-beta 35-40 peptide product
Descriptor: CHLORIDE ION, GLY-VAL-VAL amyloid 35-40 fragment, Neurolysin, ...
Authors:Masuyer, G, Berntsson, R.P.-A, Teixeira, P.F, Kmiec, B, Glaser, E, Stenmark, P.
Deposit date:2016-09-12
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and functional analysis of Neurolysin, a new component of the mitochondrial peptidolytic network
To Be Published
5N0C
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BU of 5n0c by Molmil
Crystal structure of the tetanus neurotoxin in complex with GM1a
Descriptor: DI(HYDROXYETHYL)ETHER, Tetanus toxin, ZINC ION, ...
Authors:Masuyer, G, Conrad, J, Stenmark, P.
Deposit date:2017-02-02
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of the tetanus toxin reveals pH-mediated domain dynamics.
EMBO Rep., 18, 2017
5MZF
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BU of 5mzf by Molmil
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
5MZG
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BU of 5mzg by Molmil
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:2024-01-17
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
5NGS
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BU of 5ngs by Molmil
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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