8I1H
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8I1G
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8I19
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8I1J
| Crystal structure of human MTH1(G2K/D120N mutant) in complex with 2-oxo-dATP at pH 9.7 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2023-01-13 | Release date: | 2023-03-22 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition. Febs Lett., 597, 2023
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8I8T
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8I1F
| Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 8.6 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2023-01-13 | Release date: | 2023-03-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition. Febs Lett., 597, 2023
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8I8S
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6JVN
| Crystal structure of human MTH1 in complex with compound MI1020 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVS
| Crystal structure of human MTH1 in complex with compound MI1029 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVK
| Crystal structure of human MTH1 in complex with compound MI1012 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVT
| Crystal structure of human MTH1 in complex with compound MI1030 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVJ
| Crystal structure of human MTH1 in complex with compound MI1006 | Descriptor: | 5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVR
| Crystal structure of human MTH1 in complex with compound MI1026 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.295 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVI
| Crystal structure of human MTH1 in complex with compound MI0861 | Descriptor: | (4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Peng, C, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVP
| Crystal structure of human MTH1 in complex with compound MI1024 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVG
| Crystal structure of human MTH1 in complex with compound MI0639 | Descriptor: | 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Peng, C, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVQ
| Crystal structure of human MTH1 in complex with compound MI1025 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVH
| Crystal structure of human MTH1 in complex with compound MI0320 | Descriptor: | 4-amino-6-fluoroquinoline-3-carbohydrazide, 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Peng, C, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVO
| Crystal structure of human MTH1 in complex with compound MI1022 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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6JVM
| Crystal structure of human MTH1 in complex with compound MI1016 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | Authors: | Peng, C, Li, Y.H, Cheng, Y.S. | Deposit date: | 2019-04-17 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.098 Å) | Cite: | Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
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7WW6
| Crystal structure of MutT-8-oxo-dGTP complex: Reaction for 20 min in 5 mM Mn2+ | Descriptor: | 7,8-dihydro-8-oxoguanine-triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2022-02-12 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Visualization of mutagenic nucleotide processing by Escherichia coli MutT, a Nudix hydrolase. Proc.Natl.Acad.Sci.USA, 119, 2022
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7WW7
| Crystal structure of MutT-8-oxo-dGTP complex: Reaction for 1 hr in 5 mM Mn2+ | Descriptor: | 7,8-dihydro-8-oxoguanine-triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2022-02-12 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Visualization of mutagenic nucleotide processing by Escherichia coli MutT, a Nudix hydrolase. Proc.Natl.Acad.Sci.USA, 119, 2022
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7WW8
| Crystal structure of MutT-8-oxo-dGTP complex: Reaction for 5 hr in 5 mM Mn2+ | Descriptor: | 7,8-dihydro-8-oxoguanine-triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2022-02-12 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Visualization of mutagenic nucleotide processing by Escherichia coli MutT, a Nudix hydrolase. Proc.Natl.Acad.Sci.USA, 119, 2022
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7WW9
| Crystal structure of MutT-8-oxo-dGTP complex: Reaction for 1.5 hr in 20 mM Mn2+ | Descriptor: | 7,8-dihydro-8-oxoguanine-triphosphatase, 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2022-02-12 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Visualization of mutagenic nucleotide processing by Escherichia coli MutT, a Nudix hydrolase. Proc.Natl.Acad.Sci.USA, 119, 2022
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7WWA
| Crystal structure of MutT-8-oxo-dGTP complex: Reaction for 2.5 hr in 20 mM Mn2+ | Descriptor: | 7,8-dihydro-8-oxoguanine-triphosphatase, 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2022-02-12 | Release date: | 2022-06-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Visualization of mutagenic nucleotide processing by Escherichia coli MutT, a Nudix hydrolase. Proc.Natl.Acad.Sci.USA, 119, 2022
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