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3ACA
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BU of 3aca by Molmil
Crystal structure of human NUDT5 complexed with 8-oxo-dADP and manganese
Descriptor: 8-oxo-7,8-dihydro-2'-deoxy-adenosine-5'-diphosphate, ADP-sugar pyrophosphatase, MANGANESE (II) ION
Authors:Arimori, T, Yamagata, Y.
Deposit date:2009-12-30
Release date:2011-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Diverse substrate recognition and hydrolysis mechanisms of human NUDT5
Nucleic Acids Res., 39, 2011
3A6U
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BU of 3a6u by Molmil
Crystal structure of MutT-8-OXO-dGMP-MN(II) complex
Descriptor: 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, Mutator mutT protein, ...
Authors:Nakamura, T, Yamagata, Y.
Deposit date:2009-09-09
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010
2YVM
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BU of 2yvm by Molmil
Crystal structure of NDX2 in complex with MG2+ from thermus thermophilus HB8
Descriptor: MAGNESIUM ION, MutT/nudix family protein
Authors:Wakamatsu, T, Nakagawa, N, Kuramitsu, S, Yokoyama, S, Masui, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-13
Release date:2008-02-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for different substrate specificities of two ADP-ribose pyrophosphatases from Thermus thermophilus HB8
J.Bacteriol., 190, 2008
6GLJ
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BU of 6glj by Molmil
Crystal structure of hMTH1 F27A in complex with TH scaffold 1 in the absence of acetate
Descriptor: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
Deposit date:2018-05-23
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:hMTH1 F27A in complex with TH scaffold 1.
To Be Published
6GLH
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BU of 6glh by Molmil
Crystal structure of hMTH1 F27A in complex with LW14 in the absence of acetate
Descriptor: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
Deposit date:2018-05-23
Release date:2019-02-20
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:hMTH1 F27A in complex with LW14
To Be Published
6GLO
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BU of 6glo by Molmil
Crystal structure of hMTH1 N33G in the presence of acetate
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
Deposit date:2018-05-23
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:hMTH1 N33G
To Be Published
6GLP
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BU of 6glp by Molmil
Crystal structure of hMTH1 N33G in complex with LW14 in the presence of acetate
Descriptor: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
Authors:Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
Deposit date:2018-05-23
Release date:2019-02-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:hMTH1 N33G in complex with LW14
To Be Published
6ILI
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BU of 6ili by Molmil
Crystal structure of human MTH1(G2K/D120N mutant) in complex with 8-oxo-dGTP at pH 6.5
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE
Authors:Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y.
Deposit date:2018-10-18
Release date:2018-11-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
6IJY
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BU of 6ijy by Molmil
Crystal structure of human MTH1(G2K/C87A/C104S mutant) in complex with 8-oxo-dGTP determined using a crystal obtained under microgravity
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Nakamura, T, Yamagata, Y.
Deposit date:2018-10-12
Release date:2019-02-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:X-ray Structure Analysis of Human Oxidized Nucleotide Hydrolase MTH1 using Crystals Obtained under Microgravity.
Int. J. Microgravity Sci. Appl., 36, 2019
6U9X
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BU of 6u9x by Molmil
Structure of T. brucei MERS1-RNA complex
Descriptor: Mitochondrial edited mRNA stability factor 1, RNA (5'-R(*GP*AP*GP*AP*GP*GP*GP*GP*GP*UP*U)-3')
Authors:Schumacher, M.A.
Deposit date:2019-09-09
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of MERS1, the 5' processing enzyme of mitochondrial mRNAs inTrypanosoma brucei.
Rna, 26, 2020
5ANW
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BU of 5anw by Molmil
MTH1 in complex with compound 24
Descriptor: 2-[4-(2-AMINOQUINAZOLIN-4-YL)PHENYL]-N,N-DIMETHYL-ACETAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
Authors:Read, J.A, Breed, J.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5LPG
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BU of 5lpg by Molmil
Structure of NUDT15 in complex with 6-thio-GMP
Descriptor: MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15, [(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:2024-01-10
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
5LTU
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BU of 5ltu by Molmil
Crystal Structure of NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2
Descriptor: 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2
Authors:Srikannathasan, V, Nunez, C.A, Tallant, C, Siejka, P, Mathea, S, Newman, J, Strain-Damerell, C, Elkins, J.M, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.
Deposit date:2016-09-07
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal Structure of Human NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2
To Be Published
5LF8
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BU of 5lf8 by Molmil
Human Nucleoside diphosphate-linked moiety X motif 17 (NUDT17)
Descriptor: ETHYL MERCURY ION, Nucleoside diphosphate-linked moiety X motif 17, PHOSPHATE ION
Authors:Mathea, S, Tallant, C, Salah, E, Wang, D, Velupillai, S, Nowak, R, Oerum, S, Krojer, T, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2016-06-30
Release date:2017-08-16
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Human Nucleoside diphosphate-linked moiety X motif 17 (NUDT17)
To Be Published
6US2
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BU of 6us2 by Molmil
MTH1 in complex with compound 5
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
Authors:Newby, Z.E.R, Lansdon, E.B.
Deposit date:2019-10-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.80012655 Å)
Cite:Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
6US3
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BU of 6us3 by Molmil
MTH1 in complex with compound 4
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
Authors:Newby, Z.E.R, Lansdon, E.B.
Deposit date:2019-10-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.47028923 Å)
Cite:Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
6US4
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BU of 6us4 by Molmil
MTH1 in complex with compound 32
Descriptor: 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Newby, Z.E.R, Lansdon, E.B.
Deposit date:2019-10-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95032907 Å)
Cite:Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
6VCP
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BU of 6vcp by Molmil
Crystal structure of E.coli RppH in complex with UTP
Descriptor: RNA pyrophosphohydrolase, URIDINE 5'-TRIPHOSPHATE
Authors:Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
Deposit date:2019-12-21
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
6GRU
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BU of 6gru by Molmil
Crystal structure of human NUDT5
Descriptor: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
Authors:Dubianok, Y, Collins, P, Krojer, T, Fairhead, M, MacLean, E, Diaz Saez, L, Strain-Damerell, C, Elkins, J, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2018-06-12
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of human NUDT5
To Be Published
6VCN
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BU of 6vcn by Molmil
Crystal structure of E.coli RppH in complex with ppcpG
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, RNA pyrophosphohydrolase, SULFATE ION
Authors:Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A.
Deposit date:2019-12-21
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
5C8L
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BU of 5c8l by Molmil
Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, NudF protein, ...
Authors:Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M.
Deposit date:2015-06-25
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus.
Plos One, 10, 2015
6GLT
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BU of 6glt by Molmil
Crystal structure of hMTH1 D120N in the presence of acetate
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, DIMETHYL SULFOXIDE
Authors:Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
Deposit date:2018-05-23
Release date:2019-02-20
Method:X-RAY DIFFRACTION (1.596 Å)
Cite:in progress
To Be Published
6UUF
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BU of 6uuf by Molmil
Crystal structure of a Nudix Hydrolase from M. Smegmatis, RenU
Descriptor: Nudix Hydrolase, RenU
Authors:Wright, K.M, Yoder, J, Shoemaker, S, Hernandez, A, Iheanacho, A, Marques, I, Amzel, M.L, Gabelli, S.B.
Deposit date:2019-10-30
Release date:2021-05-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of RenU
To Be Published
5MP0
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BU of 5mp0 by Molmil
Human m7GpppN-mRNA Hydrolase (DCP2, NUDT20) Catalytic Domain
Descriptor: 1,2-ETHANEDIOL, m7GpppN-mRNA hydrolase
Authors:Mathea, S, Salah, E, Velupillai, S, Tallant, C, Pike, A.C.W, Bushell, S.R, Faust, B, Wang, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Huber, K.
Deposit date:2016-12-15
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Human m7GpppN-mRNA Hydrolase (DCP2, NUDT20) Catalytic Domain
To Be Published
6GLV
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BU of 6glv by Molmil
Crystal structure of hMTH1 D120N in complex with TH scaffold 1 in the absence of acetate
Descriptor: 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A.
Deposit date:2018-05-23
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:hMTH1 D120N in complex with TH scaffold 1
To Be Published

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