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PDB: 209 件

8A0S
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MTH1 in complex with TH013350
分子名称: 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Liu, H, Scaletti, E, Stenmark, P.
登録日2022-05-30
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献MTH1 in complex with TH013350
To Be Published
8A3A
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MTH1 in complex with TH013074
分子名称: 4-(4-methylphenyl)-1~{H}-quinazolin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Liu, H, Scaletti, E, Stenmark, P.
登録日2022-06-07
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献MTH1 in complex with TH013074
To Be Published
8A07
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MTH1 in complex with TH001969
分子名称: 1~{H}-quinazoline-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Scaletti, E.R, Narwal, M, Stenmark, P.
登録日2022-05-26
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献MTH1 in complex with TH001969
To Be Published
8A34
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MTH1 in complex with TH013071
分子名称: 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Liu, H, Scaletti, E, Stenmark, P.
登録日2022-06-07
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献MTH1 in complex with TH013071
To Be Published
7QFQ
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Cryo-EM structure of Botulinum neurotoxin serotype B
分子名称: Botulinum neurotoxin type B
著者Kosenina, S, Martinez-Carranza, M, Davies, J.R, Masuyer, G, Stenmark, P.
登録日2021-12-06
公開日2022-01-26
最終更新日2022-02-02
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural Analysis of Botulinum Neurotoxins Type B and E by Cryo-EM.
Toxins, 14, 2021
4ISR
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Binding domain of Botulinum neurotoxin DC in complex with rat synaptotagmin II
分子名称: Neurotoxin, SULFATE ION, Synaptotagmin-2
著者Berntsson, R.P.-A, Peng, L, Svensson, L.M, Dong, M, Stenmark, P.
登録日2013-01-17
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal Structures of Botulinum Neurotoxin DC in Complex with Its Protein Receptors Synaptotagmin I and II.
Structure, 21, 2013
4ISQ
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Binding domain of Botulinum neurotoxin DC in complex with human synaptotagmin I
分子名称: GLYCEROL, Neurotoxin, SULFATE ION, ...
著者Berntsson, R.P.-A, Peng, L, Svensson, L.M, Dong, M, Stenmark, P.
登録日2013-01-17
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal Structures of Botulinum Neurotoxin DC in Complex with Its Protein Receptors Synaptotagmin I and II.
Structure, 21, 2013
5OTN
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Crystal structure of zebrafish MTH1 in complex with O6-methyl-dGMP
分子名称: 1,2-ETHANEDIOL, 6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE, CALCIUM ION, ...
著者Gustafsson, R, Henriksson, L, Jemth, A.-S, Brautigam, L, Carreras Puigvert, J, Homan, E, Warpman Berglund, U, Helleday, T, Stenmark, P.
登録日2017-08-22
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP.
Nucleic Acids Res., 46, 2018
7B9K
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Cryo-EM structure of the dihydrolipoyl transacetylase cubic core of the E. coli pyruvate dehydrogenase complex including lipoyl domains
分子名称: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
著者Skerlova, J, Stenmark, P.
登録日2020-12-14
公開日2021-08-11
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structure of the native pyruvate dehydrogenase complex reveals the mechanism of substrate insertion.
Nat Commun, 12, 2021
5C6K
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Bacteriophage P2 integrase catalytic domain
分子名称: Integrase
著者Skaar, K, Claesson, M, Odegrip, R, Eriksson, J, Hogbom, M, Haggard-Ljungquist, E, Stenmark, P.
登録日2015-06-23
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the bacteriophage P2 integrase catalytic domain.
Febs Lett., 589, 2015
7QEI
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Structure of human MTHFD2L in complex with TH7299
分子名称: (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Probable bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase 2
著者Gustafsson, R, Scaletti, E.R, Stenmark, P.
登録日2021-12-03
公開日2022-10-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The First Structure of Human MTHFD2L and Its Implications for the Development of Isoform-Selective Inhibitors.
Chemmedchem, 17, 2022
8BGM
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Crystal structure of the OrfX1-OrfX3 complex from the PMP1 neurotoxin gene cluster
分子名称: Toxin
著者Kosenina, S, Stenmark, P.
登録日2022-10-28
公開日2022-12-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the OrfX1-OrfX3 complex from the PMP1 neurotoxin gene cluster.
Febs Lett., 597, 2023
6G5G
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Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
登録日2018-03-29
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
6T5J
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Structure of NUDT15 in complex with inhibitor TH1760
分子名称: 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one, CHLORIDE ION, MAGNESIUM ION, ...
著者Carter, M, Rehling, D, Desroses, M, Zhang, S.M, Hagenkort, A, Valerie, N.C.K, Helleday, T, Stenmark, P.
登録日2019-10-16
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of a chemical probe against NUDT15.
Nat.Chem.Biol., 16, 2020
6ZVM
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Botulinum neurotoxin B2 binding domain in complex with GD1a
分子名称: GLYCEROL, 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, Neurotoxin
著者Davies, J.R, Masuyer, G, Stenmark, P.
登録日2020-07-25
公開日2020-10-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Biochemical Characterization of Botulinum Neurotoxin Subtype B2 Binding to Its Receptors.
Toxins, 12, 2020
8BQ7
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Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH2829
分子名称: GLYCEROL, N-glycosylase/DNA lyase, NICKEL (II) ION, ...
著者Scaletti, E, Stenmark, P.
登録日2022-11-19
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH2829
To Be Published
6SQY
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Mouse dCTPase in complex with dCMP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, dCTP pyrophosphatase 1
著者Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P.
登録日2019-09-04
公開日2020-01-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.
J.Mol.Biol., 432, 2020
6SQW
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Mouse dCTPase in complex with 5-Me-dCMP
分子名称: 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, dCTP pyrophosphatase 1
著者Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P.
登録日2019-09-04
公開日2020-01-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.
J.Mol.Biol., 432, 2020
8BVX
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Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH13264
分子名称: 1,2-ETHANEDIOL, N-glycosylase/DNA lyase, NICKEL (II) ION, ...
著者Scaletti, E, Stenmark, P.
登録日2022-12-05
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH13264
To Be Published
6ES1
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Crystal structure of the binding domain from botulinum neurotoxin A2 bound to extracellular domain of human receptor SV2C
分子名称: ACETATE ION, Botulinum neurotoxin type A, Synaptic vesicle glycoprotein 2C
著者Gustafsson, R, Masuyer, G, Stenmark, P.
登録日2017-10-19
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Botulinum Neurotoxin A2 in Complex with the Human Protein Receptor SV2C Reveals Plasticity in Receptor Binding.
Toxins (Basel), 10, 2018
7B67
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Structure of NUDT15 V18_V19insGV Mutant in complex with TH7755
分子名称: (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15, ...
著者Rehling, D, Stenmark, P.
登録日2020-12-07
公開日2021-03-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity.
J.Biol.Chem., 296, 2021
6F4E
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Crystal structure of the zinc-free catalytic domain of botulinum neurotoxin X
分子名称: Catalytic domain of botulinum neurotoxin X, DI(HYDROXYETHYL)ETHER
著者Masuyer, G, Henriksson, L, Kosenina, S, Zhang, S, Barkho, S, Shen, Y, Dong, M, Stenmark, P.
登録日2017-11-29
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural characterisation of the catalytic domain of botulinum neurotoxin X - high activity and unique substrate specificity.
Sci Rep, 8, 2018
6F47
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Crystal structure of the catalytic domain of botulinum neurotoxin X
分子名称: Catalytic domain of botulinum neurotoxin X, ZINC ION
著者Masuyer, G, Henriksson, L, Kosenina, S, Zhang, S, Barkho, S, Shen, Y, Dong, M, Stenmark, P.
登録日2017-11-29
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural characterisation of the catalytic domain of botulinum neurotoxin X - high activity and unique substrate specificity.
Sci Rep, 8, 2018
6G40
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Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH9525
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, N-glycosylase/DNA lyase, ...
著者Masuyer, G, Helleday, T, Stenmark, P.
登録日2018-03-26
公開日2019-04-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1.
Chemmedchem, 18, 2023
3ZS0
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Human Myeloperoxidase inactivated by TX2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE, ACETATE ION, ...
著者Tiden, A.K, Sjogren, T, Svensson, M, Bernlind, A, Senthilmohan, R, Auchere, F, Norman, H, Markgren, P.O, Gustavsson, S, Schmidt, S, Lundquist, S, Forbes, L.V, Magon, N.J, Jameson, G.N, Eriksson, H, Kettle, A.J.
登録日2011-06-21
公開日2011-08-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Thioxanthines are Mechanism-Based Inactivators of Myeloperoxidase that Block Oxidative Stress During Inflammation.
J.Biol.Chem., 286, 2011

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件を2024-07-17に公開中

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