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7NR6
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Structure of NUDT15 in complex with NSC56456
分子名称: 1,2-ETHANEDIOL, 2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione, MAGNESIUM ION, ...
著者Rehling, D, Stenmark, P.
登録日2021-03-03
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Coupling cellular target engagement to drug-induced responses with CeTEAM
To Be Published
1F3Y
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SOLUTION STRUCTURE OF THE NUDIX ENZYME DIADENOSINE TETRAPHOSPHATE HYDROLASE FROM LUPINUS ANGUSTIFOLIUS L.
分子名称: DIADENOSINE 5',5'''-P1,P4-TETRAPHOSPHATE HYDROLASE
著者Swarbrick, J.D, Bashtannyk, T, Maksel, D, Zhang, X.R, Blackburn, G.M, Gayler, K.R, Gooley, P.R.
登録日2000-06-06
公開日2001-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献The three-dimensional structure of the Nudix enzyme diadenosine tetraphosphate hydrolase from Lupinus angustifolius L.
J.Mol.Biol., 302, 2000
5FSI
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MTH1 substrate recognition: Complex with 8-oxo-dGTP.
分子名称: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
著者Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J.
登録日2016-01-06
公開日2016-07-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Mth1 Substrate Recognition--an Example of Specific Promiscuity.
Plos One, 11, 2016
3U53
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Crystal structure of human Ap4A hydrolase
分子名称: Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical], GLYCEROL, SULFATE ION
著者Ge, H.H, Teng, M.K.
登録日2011-10-10
公開日2012-10-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Crystal structure of wild-type and mutant human Ap4A hydrolase
Biochem.Biophys.Res.Commun., 432, 2013
7R0D
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Structure of NUDT15 in complex with Geranyl monophosphate
分子名称: Geranyl phosphate, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15
著者Scaletti, E.R, Stenmark, P.
登録日2022-02-01
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of NUDT15 in complex with Geranyl monophosphate
To Be Published
4N1U
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BU of 4n1u by Molmil
Structure of human MTH1 in complex with TH588
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION
著者Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P.
登録日2013-10-04
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Nature, 508, 2014
5OTN
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BU of 5otn by Molmil
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
7T7H
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BU of 7t7h by Molmil
Crystal structure of Vaccinia Virus decapping enzyme D9 in complex with inhibitor CP100356
分子名称: 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine, DNA repair NTP-phosphohydrolase, SODIUM ION
著者Peters, J.K, Gross, J.D.
登録日2021-12-15
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78000259 Å)
主引用文献Fluorescence-Based Activity Screening Assay Reveals Small Molecule Inhibitors of Vaccinia Virus mRNA Decapping Enzyme D9.
Acs Chem.Biol., 17, 2022
5OTM
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Crystal structure of human MTH1 in complex with O6-methyl-dGMP
分子名称: 6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE 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 (1.8 Å)
主引用文献MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP.
Nucleic Acids Res., 46, 2018
4N1T
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Structure of human MTH1 in complex with TH287
分子名称: 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P.
登録日2013-10-04
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Nature, 508, 2014
7TN4
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Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 3-diphosphoinositol 1,2,4,5-tetrakisphosphate (3-PP-IP4), Mg and Fluoride ion
分子名称: (1R,2S,3R,4R,5S,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ...
著者Zong, G, Wang, H, Shears, S.B.
登録日2022-01-20
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and catalytic analyses of the InsP 6 kinase activities of higher plant ITPKs.
Faseb J., 36, 2022
8G9C
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BU of 8g9c by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- difluoromethylenebisphosphonate inositol pentakisphosphate (5-PCF2P-IP5), an analogue of 5-InsP7
分子名称: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, FLUORIDE ION, ...
著者Zong, G, Wang, H, Shears, S.
登録日2023-02-21
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
8G9D
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BU of 8g9d by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- phosphonodifluoroacetamide inositol pentakisphosphate (5-PCF2Am-InsP5), an analogue of 5-InsP7
分子名称: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Diphosphoinositol polyphosphate phosphohydrolase 1
著者Zong, G, Wang, H, Shears, S.
登録日2023-02-21
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
7SEZ
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BU of 7sez by Molmil
Crystal structure of Vaccinia Virus decapping enzyme D9 in complex with m7GDP
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, DNA repair NTP-phosphohydrolase, SODIUM ION
著者Peters, J.K, Tibble, R.W, Warminski, M, Jemielity, J, Gross, J.D.
登録日2021-10-02
公開日2022-03-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.70001245 Å)
主引用文献Structure of the poxvirus decapping enzyme D9 reveals its mechanism of cap recognition and catalysis.
Structure, 30, 2022
7SF0
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Crystal structure of Vaccinia Virus decapping enzyme D9 in complex with trinucleotide substrate
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, DNA repair NTP-phosphohydrolase, MAGNESIUM ION, ...
著者Peters, J.K, Tibble, R.W, Warminski, M, Jemielity, J, Gross, J.D.
登録日2021-10-02
公開日2022-03-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95000446 Å)
主引用文献Structure of the poxvirus decapping enzyme D9 reveals its mechanism of cap recognition and catalysis.
Structure, 30, 2022
4C9W
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BU of 4c9w by Molmil
Crystal structure of NUDT1 (MTH1) with R-crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ...
著者Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Raynor, J, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
登録日2013-10-03
公開日2014-04-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
7SP3
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BU of 7sp3 by Molmil
E. coli RppH bound to Ap4A
分子名称: BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, FLUORIDE ION, ...
著者Serganov, A.A, Vasilyev, N, Nuthanakanti, A.
登録日2021-11-02
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A distinct RNA recognition mechanism governs Np 4 decapping by RppH.
Proc.Natl.Acad.Sci.USA, 119, 2022
7N13
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Crystal structure of MTH1 in complex with compound 32
分子名称: 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eron, S.J.
登録日2021-05-26
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
7N03
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Crystal structure of MTH1 in complex with compound 31
分子名称: 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eron, S.J.
登録日2021-05-24
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
8DP9
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Crystal structure of the monomeric AvrM14-B Nudix hydrolase effector from Melampsora lini
分子名称: AvrM14-B, SULFATE ION
著者McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J.
登録日2022-07-15
公開日2023-01-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
8DPA
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Crystal structure of the homodimeric AvrM14-B Nudix hydrolase effector from Melampsora lini
分子名称: AvrM14-B, SULFATE ION
著者McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J.
登録日2022-07-15
公開日2023-01-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
8DP8
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Crystal structure of the monomeric AvrM14-A Nudix hydrolase effector from Melampsora lini
分子名称: AvrM14-A
著者McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J.
登録日2022-07-15
公開日2023-01-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.30001 Å)
主引用文献A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways.
New Phytol., 239, 2023
4DYW
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Crystal structure of MutT NUDIX hydrolase from Burkholderia pseudomallei
分子名称: MutT/NUDIX family protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-02-29
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of MutT NUDIX hydrolase from Burkholderia pseudomallei
To be Published
7NNJ
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Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105)
分子名称: 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2, FORMIC ACID, ...
著者Dubianok, Y, Arruda Bezerra, G, Raux, B, Diaz Saez, L, Riley, A.M, Potter, B.V.L, Huber, K.V.M, von Delft, F.
登録日2021-02-24
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105)
To Be Published
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

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