6WOD
 
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with inositol hexakisphosphate and Mg, presoaked with 5-IP7, Mg and Fluoride, soaking 2min in the absence of Fluoride. | | 分子名称: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ... | | 著者 | Zong, G.N, Wang, H.C, Shears, S.B. | | 登録日 | 2020-04-24 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
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6WOF
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with inositol hexakisphosphate and Mg, presoaked with 5-IP7, Mg and Fluoride, soaking 20min in the absence of Fluoride. | | 分子名称: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ... | | 著者 | Zong, G.N, Wang, H.C, Shears, S.B. | | 登録日 | 2020-04-24 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
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6WOB
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 4-diphosphoinositol pentakisphosphate (4-IP7), Mg, and Fluoride ion | | 分子名称: | (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | | 著者 | Zong, G.N, Wang, H.C, Shears, B.S. | | 登録日 | 2020-04-24 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
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6WOC
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5-diphosphoinositol pentakisphosphate and Mg, presoaked with 5-IP7, Mg and Fluoride, soaking 1min in the absence of Fluoride. | | 分子名称: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | | 著者 | Zong, G.N, Wang, H.C, Shears, S.B. | | 登録日 | 2020-04-24 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
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6WOH
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 1,5-di-methylenebisphosphonate inositol tetrakisphosphate (1,5-PCP-IP4) | | 分子名称: | Diphosphoinositol polyphosphate phosphohydrolase 1, SULFATE 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 | Zong, G.N, Wang, H.C, Shears, S.B. | | 登録日 | 2020-04-24 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
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5NGT
 | | Crystal structure of human MTH1 in complex with inhibitor 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine, SULFATE ION | | 著者 | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | | 登録日 | 2017-03-20 | | 公開日 | 2017-10-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
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5NHY
 | | BAY-707 in complex with MTH1 | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, SULFATE ION, ... | | 著者 | Ellermann, M, Eheim, A, Giese, A, Bunse, S, Nowak-Reppel, K, Neuhaus, R, Weiske, J, Quanz, M, Glasauer, A, Meyer, H, Queisser, N, Irlbacher, H, Bader, B, Rahm, F, Viklund, J, Andersson, M, Ericsson, U, Ginman, T, Forsblom, R, Lindstrom, J, Silvander, C, Tresaugues, L, Gorjanacz, M. | | 登録日 | 2017-03-22 | | 公開日 | 2017-07-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target.
ACS Chem. Biol., 12, 2017
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5NWH
 | | Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | | 分子名称: | 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione, ADP-sugar pyrophosphatase | | 著者 | Carter, M, Stenmark, P. | | 登録日 | 2017-05-06 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells.
Nat Commun, 9, 2018
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5MZE
 | | Crystal structure of mouse MTH1 with 8-oxo-dGTP | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, COPPER (II) ION, ... | | 著者 | Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. | | 登録日 | 2017-01-31 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 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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5OTN
 | | Crystal structure of zebrafish MTH1 in complex with O6-methyl-dGMP | | 分子名称: | 1,2-ETHANEDIOL, 6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE, CALCIUM ION, ... | | 著者 | Gustafsson, R, Henriksson, L, Jemth, A.-S, Brautigam, L, Carreras Puigvert, J, Homan, E, Warpman Berglund, U, Helleday, T, Stenmark, P. | | 登録日 | 2017-08-22 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | | 主引用文献 | MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP.
Nucleic Acids Res., 46, 2018
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5OTM
 | | Crystal structure of human MTH1 in complex with O6-methyl-dGMP | | 分子名称: | 6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | 著者 | Gustafsson, R, Henriksson, L, Jemth, A.-S, Brautigam, L, Carreras Puigvert, J, Homan, E, Warpman Berglund, U, Helleday, T, Stenmark, P. | | 登録日 | 2017-08-22 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP.
Nucleic Acids Res., 46, 2018
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6DBY
 | | Crystal structure of Nudix 1 from Arabidopsis thaliana | | 分子名称: | MAGNESIUM ION, Nudix hydrolase 1 | | 著者 | Noel, J.P, Thomas, S.T, Dudareva, N, Henry, L.K. | | 登録日 | 2018-05-03 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Contribution of isopentenyl phosphate to plant terpenoid metabolism.
Nat Plants, 4, 2018
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2I6K
 | | Crystal structure of human type I IPP isomerase complexed with a substrate analog | | 分子名称: | ACETIC ACID, AMINOETHANOLPYROPHOSPHATE, Isopentenyl-diphosphate delta-isomerase 1, ... | | 著者 | Zhang, C, Wei, Z, Gong, W. | | 登録日 | 2006-08-29 | | 公開日 | 2007-06-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of human IPP isomerase: new insights into the catalytic mechanism
J.Mol.Biol., 366, 2007
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2I8U
 | | GDP-mannose mannosyl hydrolase-calcium-GDP product complex | | 分子名称: | CALCIUM ION, GDP-mannose mannosyl hydrolase, GUANOSINE-5'-DIPHOSPHATE | | 著者 | Zou, Y, Li, C, Brunzelle, J.S, Nair, S.K. | | 登録日 | 2006-09-03 | | 公開日 | 2007-06-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Molecular basis for substrate selectivity and specificity by an LPS biosynthetic enzyme
Biochemistry, 46, 2007
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2I8T
 | | GDP-mannose mannosyl hydrolase-calcium-GDP-mannose complex | | 分子名称: | CALCIUM ION, GDP-mannose mannosyl hydrolase, GLYCEROL, ... | | 著者 | Zou, Y, Li, C, Brunzelle, J.S, Nair, S.K. | | 登録日 | 2006-09-03 | | 公開日 | 2007-06-19 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Molecular basis for substrate selectivity and specificity by an LPS biosynthetic enzyme
Biochemistry, 46, 2007
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2ICJ
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5ZRG
 | | M. smegmatis antimutator protein MutT2 in complex with dCMP | | 分子名称: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Putative mutator protein MutT2/NUDIX hydrolase | | 著者 | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | | 登録日 | 2018-04-24 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
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6AA4
 | | Crystal structure of MTH1 in complex with alpha-mangostin (cocktail No. 9) | | 分子名称: | 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ... | | 著者 | Yokoyama, T, Kitakami, R, Mizuguchi, M. | | 登録日 | 2018-07-17 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
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5ZRP
 | | M. smegmatis antimutator protein MutT2 form 3 | | 分子名称: | Putative mutator protein MutT2/NUDIX hydrolase | | 著者 | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | | 登録日 | 2018-04-24 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
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5ZRK
 | | M. smegmatis antimutator protein MutT2 in complex with dCTP | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Putative mutator protein MutT2/NUDIX hydrolase | | 著者 | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | | 登録日 | 2018-04-24 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
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6AA3
 | | Crystal structure of MTH1 in apo form (cocktail No. 1) | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ZINC ION | | 著者 | Yokoyama, T, Kitakami, R, Mizuguchi, M. | | 登録日 | 2018-07-17 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
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5ZRI
 | | M. smegmatis antimutator protein MutT2 in complex with 5m-dCMP | | 分子名称: | MAGNESIUM ION, Putative mutator protein MutT2/NUDIX hydrolase, [(2R,3S,5R)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | 著者 | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | | 登録日 | 2018-04-24 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
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5ZRL
 | | M. smegmatis antimutator protein MutT2 in complex with CDP | | 分子名称: | 1,2-ETHANEDIOL, CYTIDINE-5'-DIPHOSPHATE, Putative mutator protein MutT2/NUDIX hydrolase | | 著者 | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | | 登録日 | 2018-04-24 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
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5ZRO
 | | M. smegmatis antimutator protein MutT2 in complex with 5mdCTP | | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), Putative mutator protein MutT2/NUDIX hydrolase | | 著者 | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | | 登録日 | 2018-04-24 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
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6AA5
 | | Crystal structure of MTH1 in complex with 3-isomangostin | | 分子名称: | 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ... | | 著者 | Yokoyama, T, Kitakami, R, Mizuguchi, M. | | 登録日 | 2018-07-17 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
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