6EHH
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![BU of 6ehh by Molmil](/molmil-images/mine/6ehh) | Crystal structure of mouse MTH1 mutant L116M with inhibitor TH588 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Gustafsson, R, Narwal, M, Jemth, A.-S, Almlof, I, Warpman Berglund, U, Helleday, T, Stenmark, P. | 登録日 | 2017-09-13 | 公開日 | 2018-01-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. Biochemistry, 57, 2018
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6EQ3
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![BU of 6eq3 by Molmil](/molmil-images/mine/6eq3) | MTH1 in complex with fragment 9 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, [2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol | 著者 | Wiedmer, L, Sledz, P, Caflisch, A. | 登録日 | 2017-10-12 | 公開日 | 2018-10-31 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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6EQ5
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![BU of 6eq5 by Molmil](/molmil-images/mine/6eq5) | MTH1 in complex with fragment 4 | 分子名称: | 1H-benzimidazol-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Wiedmer, L, Sledz, P, Caflisch, A. | 登録日 | 2017-10-12 | 公開日 | 2018-10-31 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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5FSK
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![BU of 5fsk by Molmil](/molmil-images/mine/5fsk) | MTH1 substrate recognition: Complex with 8-oxo-dGTP. | 分子名称: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-ADENOSINE-5'-TRIPHOSPHATE, ACETATE ION | 著者 | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | 登録日 | 2016-01-06 | 公開日 | 2016-07-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Mth1 Substrate Recognition--an Example of Specific Promiscuity. Plos One, 11, 2016
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5FSM
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![BU of 5fsm by Molmil](/molmil-images/mine/5fsm) | MTH1 substrate recognition: Complex with a methylbenzimidazolyl acetamide. | 分子名称: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | 登録日 | 2016-01-06 | 公開日 | 2016-07-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Mth1 Substrate Recognition--an Example of Specific Promiscuity. Plos One, 11, 2016
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5FSL
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![BU of 5fsl by Molmil](/molmil-images/mine/5fsl) | MTH1 substrate recognition: Complex with a methylaminopurinone | 分子名称: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE, SULFATE ION | 著者 | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | 登録日 | 2016-01-06 | 公開日 | 2016-07-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Mth1 Substrate Recognition--an Example of Specific Promiscuity. Plos One, 11, 2016
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5FSN
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![BU of 5fsn by Molmil](/molmil-images/mine/5fsn) | MTH1 substrate recognition: Complex with a aminomethylpyrimidinyl oxypropanol. | 分子名称: | 3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ... | 著者 | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | 登録日 | 2016-01-06 | 公開日 | 2016-07-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Mth1 Substrate Recognition--an Example of Specific Promiscuity. Plos One, 11, 2016
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5GHI
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![BU of 5ghi by Molmil](/molmil-images/mine/5ghi) | Crystal structure of human MTH1(G2K mutant) in complex with 8-oxo-dGTP | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, SODIUM ION | 著者 | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | 登録日 | 2016-06-20 | 公開日 | 2017-01-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.211 Å) | 主引用文献 | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
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5GHO
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![BU of 5gho by Molmil](/molmil-images/mine/5gho) | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 8-oxo-dGTP | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | 著者 | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | 登録日 | 2016-06-20 | 公開日 | 2017-01-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.191 Å) | 主引用文献 | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
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5GHM
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![BU of 5ghm by Molmil](/molmil-images/mine/5ghm) | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 8-oxo-dGTP at pH 7.0 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, SODIUM ION | 著者 | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | 登録日 | 2016-06-20 | 公開日 | 2017-01-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
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5GHN
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![BU of 5ghn by Molmil](/molmil-images/mine/5ghn) | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 2-oxo-dATP | 分子名称: | 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 | 著者 | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | 登録日 | 2016-06-20 | 公開日 | 2017-01-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.391 Å) | 主引用文献 | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
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5GP0
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![BU of 5gp0 by Molmil](/molmil-images/mine/5gp0) | Crystal structure of geraniol-NUDX1 complex | 分子名称: | GERANYL DIPHOSPHATE, GLYCEROL, Nudix hydrolase 1 | 著者 | Liu, J, Guan, Z, Zou, T, Yin, P. | 登録日 | 2016-07-30 | 公開日 | 2017-10-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | 主引用文献 | Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis. Mol Plant, 11, 2018
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6F22
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![BU of 6f22 by Molmil](/molmil-images/mine/6f22) | Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative) | 分子名称: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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5GHQ
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![BU of 5ghq by Molmil](/molmil-images/mine/5ghq) | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 2-oxo-dATP under high concentrations of 2-oxo-dATP | 分子名称: | 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 | 著者 | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | 登録日 | 2016-06-20 | 公開日 | 2017-01-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.181 Å) | 主引用文献 | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
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6F1X
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![BU of 6f1x by Molmil](/molmil-images/mine/6f1x) | Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative) | 分子名称: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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5GHJ
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![BU of 5ghj by Molmil](/molmil-images/mine/5ghj) | Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP | 分子名称: | 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 | 著者 | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | 登録日 | 2016-06-20 | 公開日 | 2017-01-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
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5GHP
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![BU of 5ghp by Molmil](/molmil-images/mine/5ghp) | Crystal structure of human MTH1(G2K/D120A mutant) in complex with 2-oxo-dATP | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION | 著者 | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | 登録日 | 2016-06-20 | 公開日 | 2017-01-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.192 Å) | 主引用文献 | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
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1U20
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![BU of 1u20 by Molmil](/molmil-images/mine/1u20) | |
6F23
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![BU of 6f23 by Molmil](/molmil-images/mine/6f23) | Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative) | 分子名称: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ... | 著者 | Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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1RYA
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![BU of 1rya by Molmil](/molmil-images/mine/1rya) | Crystal Structure of the E. coli GDP-mannose mannosyl hydrolase in complex with GDP and MG | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GDP-mannose mannosyl hydrolase, ... | 著者 | Gabelli, S.B, Bianchet, M.A, Legler, P.M, Mildvan, A.S, Amzel, L.M. | 登録日 | 2003-12-20 | 公開日 | 2004-06-22 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structure and mechanism of GDP-mannose glycosyl hydrolase, a Nudix enzyme that cleaves at carbon instead of phosphorus. Structure, 12, 2004
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6F20
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![BU of 6f20 by Molmil](/molmil-images/mine/6f20) | Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative) | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ... | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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1TUM
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![BU of 1tum by Molmil](/molmil-images/mine/1tum) | MUTT PYROPHOSPHOHYDROLASE-METAL-NUCLEOTIDE-METAL COMPLEX, NMR, 16 STRUCTURES | 分子名称: | COBALT TETRAAMMINE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | 著者 | Lin, J, Abeygunawardana, C, Frick, D.N, Bessman, M.J, Mildvan, A.S. | 登録日 | 1996-12-05 | 公開日 | 1997-05-15 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the quaternary MutT-M2+-AMPCPP-M2+ complex and mechanism of its pyrophosphohydrolase action. Biochemistry, 36, 1997
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6FL4
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![BU of 6fl4 by Molmil](/molmil-images/mine/6fl4) | A. thaliana NUDT1 in complex with 8-oxo-dGTP | 分子名称: | 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Nudix hydrolase 1 | 著者 | Jemth, A.S, Scaletti-Hutchinson, E, Carter, M, Helleday, T, Stenmark, P. | 登録日 | 2018-01-25 | 公開日 | 2019-02-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal Structure and Substrate Specificity of the 8-oxo-dGTP Hydrolase NUDT1 from Arabidopsis thaliana. Biochemistry, 58, 2019
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5HZX
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![BU of 5hzx by Molmil](/molmil-images/mine/5hzx) | Crystal structure of zebrafish MTH1 in complex with TH588 | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Narwal, M, Gustafsson, R, Brautigam, L, Pudelko, L, Jemth, A.-S, Gad, H, Karsten, S, Carreras-Puigvert, J, Homan, E, Berndt, C, Berglund, U.W, Helleday, T, Stenmark, P. | 登録日 | 2016-02-03 | 公開日 | 2016-02-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Hypoxic Signaling and the Cellular Redox Tumor Environment Determine Sensitivity to MTH1 Inhibition. Cancer Res., 76, 2016
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6GLU
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![BU of 6glu by Molmil](/molmil-images/mine/6glu) | Crystal structure of hMTH1 D120N in complex with LW14 in the presence of acetate | 分子名称: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | 著者 | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | 登録日 | 2018-05-23 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | hMTH1 D120N in complex with LW14 To Be Published
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