6JVO
| Crystal structure of human MTH1 in complex with compound MI1022 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | 著者 | Peng, C, Li, Y.H, Cheng, Y.S. | 登録日 | 2019-04-17 | 公開日 | 2020-10-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | 主引用文献 | 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 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine | 著者 | Peng, C, Li, Y.H, Cheng, Y.S. | 登録日 | 2019-04-17 | 公開日 | 2020-10-28 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | 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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6JVF
| Crystal structure of human apo MTH1 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase | 著者 | Peng, C, Cheng, Y.S. | 登録日 | 2019-04-17 | 公開日 | 2020-10-28 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | 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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6JVL
| Crystal structure of human MTH1 in complex with compound MI1014 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine | 著者 | Peng, C, Li, Y.H, Cheng, Y.S. | 登録日 | 2019-04-17 | 公開日 | 2020-10-28 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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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7B67
| Structure of NUDT15 V18_V19insGV Mutant in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15, ... | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B65
| Structure of NUDT15 R139C Mutant in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B63
| Structure of NUDT15 in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B66
| Structure of NUDT15 R139H Mutant in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7B64
| Structure of NUDT15 V18I Mutant in complex with TH7755 | 分子名称: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Stenmark, P. | 登録日 | 2020-12-07 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
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7AUU
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7B7V
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7AUO
| Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PA-InsP8 | 分子名称: | Diphosphoinositol polyphosphate phosphohydrolase DDP1, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) | 著者 | Marquez-Monino, M.A, Gonzalez, B. | 登録日 | 2020-11-03 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUT
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7AUL
| Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-InsP7 in presence of Mg | 分子名称: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, ACETATE ION, Diphosphoinositol polyphosphate phosphohydrolase DDP1, ... | 著者 | Marquez-Monino, M.A, Gonzalez, B. | 登録日 | 2020-11-03 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUN
| Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PCP-InsP8 | 分子名称: | Diphosphoinositol polyphosphate phosphohydrolase DDP1, MAGNESIUM ION, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid) | 著者 | Marquez-Monino, M.A, Gonzalez, B. | 登録日 | 2020-11-03 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUR
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7AUP
| Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PCP-InsP7 | 分子名称: | Diphosphoinositol polyphosphate phosphohydrolase DDP1, MAGNESIUM ION, [oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentaphosphonooxycyclohexyl]oxy-phosphoryl]methylphosphonic acid | 著者 | Marquez-Monino, M.A, Gonzalez, B. | 登録日 | 2020-11-03 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUK
| Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-InsP7 | 分子名称: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Diphosphoinositol polyphosphate phosphohydrolase DDP1 | 著者 | Marquez-Monino, M.A, Gonzalez, B. | 登録日 | 2020-11-03 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUJ
| Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 mutation E80Q in complex with 1-InsP7 | 分子名称: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Diphosphoinositol polyphosphate phosphohydrolase DDP1, MAGNESIUM ION | 著者 | Marquez-Monino, M.A, Gonzalez, B. | 登録日 | 2020-11-03 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUM
| Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-PCF2Am-InsP5 | 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 DDP1 | 著者 | Marquez-Monino, M.A, Gonzalez, B. | 登録日 | 2020-11-03 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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7AUS
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7AUQ
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7AUI
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7AOP
| Structure of NUDT15 in complex with inhibitor TH8321 | 分子名称: | 2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | 登録日 | 2020-10-14 | 公開日 | 2021-06-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir. Cell Chem Biol, 28, 2021
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7AOM
| Structure of NUDT15 in complex with Ganciclovir triphosphate | 分子名称: | Ganciclovir triphosphate, MAGNESIUM ION, Nucleotide triphosphate diphosphatase NUDT15 | 著者 | Rehling, D, Zhang, S.M, Helleday, T, Stenmark, P. | 登録日 | 2020-10-14 | 公開日 | 2021-06-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | NUDT15-mediated hydrolysis limits the efficacy of anti-HCMV drug ganciclovir. Cell Chem Biol, 28, 2021
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