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7R0D
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BU of 7r0d by Molmil
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
6QVO
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Crystal structure of human MTH1 in complex with N6-methyl-dAMP
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE, ...
著者Scaletti, E, Vallin, K.S, Brautigam, L, Sarno, A, Warpman Berglund, U, Helleday, T, Stenmark, P, Jemth, A.S.
登録日2019-03-04
公開日2020-03-18
最終更新日2020-09-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献MutT homologue 1 (MTH1) removes N6-methyl-dATP from the dNTP pool.
J.Biol.Chem., 295, 2020
4MPO
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BU of 4mpo by Molmil
1.90 A resolution structure of CT771 from Chlamydia trachomatis Bound to Hydrolyzed Ap4A Products
分子名称: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, CT771, ...
著者Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
登録日2013-09-13
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase.
Biochemistry, 53, 2014
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
4C9W
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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
4C9X
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Crystal structure of NUDT1 (MTH1) with S-crizotinib
分子名称: 3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-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, 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 (1.2 Å)
主引用文献Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
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
6T5J
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BU of 6t5j by Molmil
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
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
4S2W
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Structure of E. coli RppH bound to sulfate ions
分子名称: RNA pyrophosphohydrolase, SULFATE ION
著者Vasilyev, N, Serganov, A.
登録日2015-01-23
公開日2015-02-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
4S2X
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Structure of E. coli RppH bound to RNA and two magnesium ions
分子名称: MAGNESIUM ION, RNA (5'-R(*(APC)*GP*U)-3'), RNA pyrophosphohydrolase, ...
著者Vasilyev, N, Serganov, A.
登録日2015-01-23
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
4S2Y
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BU of 4s2y by Molmil
Structure of E. coli RppH bound to RNA and three magnesium ions
分子名称: CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(*(APC)*GP*U)-3'), ...
著者Vasilyev, N, Serganov, A.
登録日2015-01-23
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
4S2V
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BU of 4s2v by Molmil
E. coli RppH structure, KI soak
分子名称: ACETATE ION, CALCIUM ION, IODIDE ION, ...
著者Vasilyev, N, Serganov, A.
登録日2015-01-23
公開日2015-02-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
7N13
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BU of 7n13 by Molmil
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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BU of 7n03 by Molmil
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
7NR6
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BU of 7nr6 by Molmil
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
7NNJ
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BU of 7nnj by Molmil
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
8DP9
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BU of 8dp9 by Molmil
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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BU of 8dpa by Molmil
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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BU of 8dp8 by Molmil
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2023-06-14
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
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
8A0T
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MTH1 in complex with TH012532
分子名称: 5-(phenylmethyl)pyrimidine-2,4-diol, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Scaletti, E, Stenmark, P.
登録日2022-05-30
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献MTH1 in complex with TH012532
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
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

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