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5WS7
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Crystal structure of human MTH1(G2K/C87A/C104S 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2016-12-05
公開日2017-01-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1 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
5WWD
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BU of 5wwd by Molmil
Crystal structure of AtNUDX1
分子名称: AMMONIUM ION, GLYCEROL, MAGNESIUM ION, ...
著者Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P.
登録日2016-12-31
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.386 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
5WY6
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Crystal structure of AtNUDX1 (E56A)
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Nudix hydrolase 1, ...
著者Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P.
登録日2017-01-11
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.779 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
5ZRG
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BU of 5zrg by Molmil
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
6AA4
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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
5ZRP
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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
5ZRK
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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
6AA3
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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
5ZRI
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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
5ZRL
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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
5ZRC
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BU of 5zrc by Molmil
Structural insights into the catalysis mechanism of M. smegmatis antimutator protein MutT2
分子名称: 1,2-ETHANEDIOL, 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 (1.1 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
5ZRH
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BU of 5zrh by Molmil
M. smegmatis antimutator protein MutT2 in complex with CMP
分子名称: 1,2-ETHANEDIOL, CYTIDINE-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 (1.54 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
5ZRO
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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
7B67
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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
7AUJ
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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
7AUM
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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
7AUQ
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Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with Ap5A and Ca2+
分子名称: ADENINE, ADENOSINE-5'-PENTAPHOSPHATE, CALCIUM 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 (2.25 Å)
主引用文献Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
7AUS
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BU of 7aus by Molmil
Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with P15
分子名称: Diphosphoinositol polyphosphate phosphohydrolase DDP1, MAGNESIUM ION, pentadecaphosphate
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 (1.75 Å)
主引用文献Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
7AUI
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Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with InsP6
分子名称: Diphosphoinositol polyphosphate phosphohydrolase DDP1, INOSITOL HEXAKISPHOSPHATE
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 (1.98 Å)
主引用文献Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
7AOP
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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
7AOM
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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
7B65
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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
7B63
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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
7B66
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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
7B64
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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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