8A0S
| MTH1 in complex with TH013350 | Descriptor: | 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Liu, H, Scaletti, E, Stenmark, P. | Deposit date: | 2022-05-30 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | MTH1 in complex with TH013350 To Be Published
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7N13
| Crystal structure of MTH1 in complex with compound 32 | Descriptor: | 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eron, S.J. | Deposit date: | 2021-05-26 | Release date: | 2021-11-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Development of an AchillesTAG degradation system and its application to control CAR-T activity Curr Res Chem Biol, 1, 2021
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7N03
| Crystal structure of MTH1 in complex with compound 31 | Descriptor: | 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eron, S.J. | Deposit date: | 2021-05-24 | Release date: | 2021-11-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Development of an AchillesTAG degradation system and its application to control CAR-T activity Curr Res Chem Biol, 1, 2021
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8DP9
| Crystal structure of the monomeric AvrM14-B Nudix hydrolase effector from Melampsora lini | Descriptor: | AvrM14-B, SULFATE ION | Authors: | McCombe, C.L, Outram, M.A, Ericsson, D.J, Williams, S.J. | Deposit date: | 2022-07-15 | Release date: | 2023-01-25 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A rust-fungus Nudix hydrolase effector decaps mRNA in vitro and interferes with plant immune pathways. New Phytol., 239, 2023
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7NNJ
| Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105) | Descriptor: | 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2, FORMIC ACID, ... | Authors: | Dubianok, Y, Arruda Bezerra, G, Raux, B, Diaz Saez, L, Riley, A.M, Potter, B.V.L, Huber, K.V.M, von Delft, F. | Deposit date: | 2021-02-24 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | Crystal Structure of NUDT4 (Diphosphoinositol polyphosphate phosphohydrolase 2) in complex with 4-O-Bn-1-PCP-InsP4 (AMR2105) To Be Published
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7NR6
| Structure of NUDT15 in complex with NSC56456 | Descriptor: | 1,2-ETHANEDIOL, 2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione, MAGNESIUM ION, ... | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2021-03-03 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Coupling cellular target engagement to drug-induced responses with CeTEAM To Be Published
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8G9C
| Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- difluoromethylenebisphosphonate inositol pentakisphosphate (5-PCF2P-IP5), an analogue of 5-InsP7 | Descriptor: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, FLUORIDE ION, ... | Authors: | Zong, G, Wang, H, Shears, S. | Deposit date: | 2023-02-21 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs. Chemistry, 29, 2023
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8G9D
| Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- phosphonodifluoroacetamide inositol pentakisphosphate (5-PCF2Am-InsP5), an analogue of 5-InsP7 | Descriptor: | (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 | Authors: | Zong, G, Wang, H, Shears, S. | Deposit date: | 2023-02-21 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs. Chemistry, 29, 2023
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7R0D
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4C9X
| Crystal structure of NUDT1 (MTH1) with S-crizotinib | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2013-10-03 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy. Nature, 508, 2014
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4C9W
| Crystal structure of NUDT1 (MTH1) with R-crizotinib | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2013-10-03 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy. Nature, 508, 2014
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4DYW
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4KYX
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6PCK
| Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 1-IP7 | Descriptor: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Dollins, D.E, Neubauer, J, Dong, J, York, J.D. | Deposit date: | 2019-06-17 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling. Proc.Natl.Acad.Sci.USA, 117, 2020
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6P5R
| Structure of T. brucei MERS1-GDP complex | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Mitochondrial edited mRNA stability factor 1 | Authors: | Schumacher, M.A. | Deposit date: | 2019-05-30 | Release date: | 2019-11-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures of MERS1, the 5' processing enzyme of mitochondrial mRNAs inTrypanosoma brucei. Rna, 26, 2020
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6PCL
| Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 5-IP7 | Descriptor: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Dollins, D.E, Neubauer, J, Dong, J, York, J.D. | Deposit date: | 2019-06-17 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling. Proc.Natl.Acad.Sci.USA, 117, 2020
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7DNU
| mRNA-decapping enzyme g5Rp with inhibitor insp6 complex | Descriptor: | INOSITOL HEXAKISPHOSPHATE, mRNA-decapping protein g5R | Authors: | Yang, Y, Chen, C, Li, L, Li, X.H, Su, D. | Deposit date: | 2020-12-10 | Release date: | 2021-12-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.245 Å) | Cite: | Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp. J.Virol., 96, 2022
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7DNT
| mRNA-decapping enzyme g5Rp | Descriptor: | mRNA-decapping protein g5R | Authors: | Yang, Y, Chen, C, Li, L, Li, X.H, Su, D. | Deposit date: | 2020-12-10 | Release date: | 2022-03-09 | Last modified: | 2022-12-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insight into Molecular Inhibitory Mechanism of InsP 6 on African Swine Fever Virus mRNA-Decapping Enzyme g5Rp. J.Virol., 96, 2022
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4S2W
| Structure of E. coli RppH bound to sulfate ions | Descriptor: | RNA pyrophosphohydrolase, SULFATE ION | Authors: | Vasilyev, N, Serganov, A. | Deposit date: | 2015-01-23 | Release date: | 2015-02-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | 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
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4S2X
| Structure of E. coli RppH bound to RNA and two magnesium ions | Descriptor: | MAGNESIUM ION, RNA (5'-R(*(APC)*GP*U)-3'), RNA pyrophosphohydrolase, ... | Authors: | Vasilyev, N, Serganov, A. | Deposit date: | 2015-01-23 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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
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4S2Y
| Structure of E. coli RppH bound to RNA and three magnesium ions | Descriptor: | CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(*(APC)*GP*U)-3'), ... | Authors: | Vasilyev, N, Serganov, A. | Deposit date: | 2015-01-23 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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
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4S2V
| E. coli RppH structure, KI soak | Descriptor: | ACETATE ION, CALCIUM ION, IODIDE ION, ... | Authors: | Vasilyev, N, Serganov, A. | Deposit date: | 2015-01-23 | Release date: | 2015-02-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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
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7ESF
| The Crystal Structure of human MTH1 from Biortus | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL | Authors: | Wang, F, Cheng, W, Shang, H, Wang, R, Zhang, B, Tian, F. | Deposit date: | 2021-05-10 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Crystal Structure of human MTH1 from Biortus To Be Published
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4MPO
| 1.90 A resolution structure of CT771 from Chlamydia trachomatis Bound to Hydrolyzed Ap4A Products | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, CT771, ... | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S. | Deposit date: | 2013-09-13 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase. Biochemistry, 53, 2014
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4N1U
| Structure of human 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: | Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P. | Deposit date: | 2013-10-04 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. Nature, 508, 2014
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