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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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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6GLF
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6GLL
 | | Crystal structure of hMTH1 N33A 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, ACETATE ION, ... | | 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 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.395 Å) | | 主引用文献 | hMTH1 N33A in complex with LW14
To Be Published
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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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6GLE
 | | Crystal structure of hMTH1 in complex with TH scaffold 1 in the presence of acetate | | 分子名称: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | 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 (1.402 Å) | | 主引用文献 | hMTH1 in complex with TH scaffold 1
To Be Published
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6GLK
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6GLR
 | | Crystal structure of hMTH1 N33G in complex with TH scaffold 1 in the presence of acetate | | 分子名称: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | 著者 | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | | 登録日 | 2018-05-23 | | 公開日 | 2019-02-20 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | hMTH1 N33G in complex with TH scaffold 1
To Be Published
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6GLQ
 | | Crystal structure of hMTH1 N33G in complex with LW14 in the absence of acetate | | 分子名称: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | 著者 | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | | 登録日 | 2018-05-23 | | 公開日 | 2019-02-20 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | hMTH1 N33G in complex with LW14.
To Be Published
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6GLG
 | | Crystal structure of hMTH1 F27A 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, ACETATE ION, ... | | 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 (1.313 Å) | | 主引用文献 | hMTH1 F27A in complex with LW14
To Be Published
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6GLM
 | | Crystal structure of hMTH1 N33A in complex with LW14 in the absence of acetate | | 分子名称: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | 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 (1.6 Å) | | 主引用文献 | hMTH1 N33A in complex with LW14
To Be Published
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6GLS
 | | Crystal structure of hMTH1 N33G in complex with TH scaffold 1 in the absence of acetate | | 分子名称: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | 著者 | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | | 登録日 | 2018-05-23 | | 公開日 | 2019-02-20 | | 実験手法 | X-RAY DIFFRACTION (1.501 Å) | | 主引用文献 | hMTH1 N33G in complex with TH scaffold 1.
To Be Published
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6GLI
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6GLN
 | | Crystal structure of hMTH1 N33A in complex with TH scaffold 1 in the absence of acetate | | 分子名称: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | 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 (1.401 Å) | | 主引用文献 | hMTH1 N33A in complex with TH scaffold 1
To Be Published
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6GLJ
 | | Crystal structure of hMTH1 F27A in complex with TH scaffold 1 in the absence of acetate | | 分子名称: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | 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 (1.301 Å) | | 主引用文献 | hMTH1 F27A in complex with TH scaffold 1.
To Be Published
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6GLO
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6GLH
 | | Crystal structure of hMTH1 F27A in complex with LW14 in the absence of acetate | | 分子名称: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | 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 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.201 Å) | | 主引用文献 | hMTH1 F27A in complex with LW14
To Be Published
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6GLP
 | | Crystal structure of hMTH1 N33G 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, ACETATE ION, ... | | 著者 | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | | 登録日 | 2018-05-23 | | 公開日 | 2019-02-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | hMTH1 N33G in complex with LW14
To Be Published
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6GLV
 | | Crystal structure of hMTH1 D120N in complex with TH scaffold 1 in the absence of acetate | | 分子名称: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | 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 (1.601 Å) | | 主引用文献 | hMTH1 D120N in complex with TH scaffold 1
To Be Published
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6GLT
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6GRU
 | | Crystal structure of human NUDT5 | | 分子名称: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | | 著者 | Dubianok, Y, Collins, P, Krojer, T, Fairhead, M, MacLean, E, Diaz Saez, L, Strain-Damerell, C, Elkins, J, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2018-06-12 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Crystal structure of human NUDT5
To Be Published
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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
 | | 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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5QGS
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000476a | | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, N-(4-chlorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]urea, ... | | 著者 | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2018-05-15 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QH6
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000259a | | 分子名称: | 2-(3-hydroxyphenyl)-N-(pyridin-2-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2018-05-15 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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