5ANT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ant by Molmil](/molmil-images/mine/5ant) | Potent and selective inhibitors of MTH1 probe its role in cancer cell survival | Descriptor: | 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | Authors: | Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
|
|
5ANU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5anu by Molmil](/molmil-images/mine/5anu) | MTH1 in complex with compound 15 | Descriptor: | 13-(METHYLAMINO)-23,24,25-TRIOXA-17,18,19,21-TETRAZATETRACYCLO-TRICOSA-1(3),2(10),4(11),12(14),13(18),16(19)-HEXAN-15-ONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, DIMETHYL SULFOXIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
|
|
5MZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mze by Molmil](/molmil-images/mine/5mze) | Crystal structure of mouse MTH1 with 8-oxo-dGTP | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, COPPER (II) ION, ... | Authors: | Narwal, M, Jemth, A.-S, Helleday, T, Stenmark, P. | Deposit date: | 2017-01-31 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. Biochemistry, 57, 2018
|
|
3X0O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x0o by Molmil](/molmil-images/mine/3x0o) | ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ESMM-state at reaction time of 10 min | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-17 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
|
|
3X0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x0j by Molmil](/molmil-images/mine/3x0j) | ADP ribose pyrophosphatase from Thermus thermophilus HB8 in apo state at 0.92 angstrom resolution | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, SULFATE ION | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-16 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
|
|
3ZR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zr0 by Molmil](/molmil-images/mine/3zr0) | Crystal structure of human MTH1 in complex with 8-oxo-dGMP | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, SULFATE ION | Authors: | Svensson, L.M, Jemth, A, Desroses, M, Loseva, O, Helleday, T, Hogbom, M, Stenmark, P. | Deposit date: | 2011-06-13 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Human Mth1 and the 8-Oxo-Dgmp Product Complex. FEBS Lett., 585, 2011
|
|
3X0S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x0s by Molmil](/molmil-images/mine/3x0s) | ADP ribose pyrophosphatase from Thermus thermophilus HB8 in E'-state at reaction time of 50 min | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-17 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
|
|
5C7T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c7t by Molmil](/molmil-images/mine/5c7t) | Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase in complex with ADP-ribose | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, ADENOSINE-5-DIPHOSPHORIBOSE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M. | Deposit date: | 2015-06-24 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus. Plos One, 10, 2015
|
|
5CFI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cfi by Molmil](/molmil-images/mine/5cfi) | |
5C7Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c7q by Molmil](/molmil-images/mine/5c7q) | Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Gabelli, S.B, de la Pena, A.H, Suarez, A, Amzel, L.M. | Deposit date: | 2015-06-24 | Release date: | 2016-01-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural and Enzymatic Characterization of a Nucleoside Diphosphate Sugar Hydrolase from Bdellovibrio bacteriovorus. Plos One, 10, 2015
|
|
5BON
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bon by Molmil](/molmil-images/mine/5bon) | Crystal structure of human Nudt15 (MTH2) | Descriptor: | MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 | Authors: | Carter, M, Jemth, A.-S, Helleday, T, Stenmark, P. | Deposit date: | 2015-05-27 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Crystal structure, biochemical and cellular activities demonstrate separate functions of MTH1 and MTH2. Nat Commun, 6, 2015
|
|
3X0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x0l by Molmil](/molmil-images/mine/3x0l) | ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ES-state at 1.00 angstrom resolution | Descriptor: | ADP-ribose pyrophosphatase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-17 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
|
|
3X0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x0q by Molmil](/molmil-images/mine/3x0q) | ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ESMM-state at reaction time of 20 min | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-17 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
|
|
3X0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x0k by Molmil](/molmil-images/mine/3x0k) | ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ES-state at 0.97 angstrom resolution | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-16 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
|
|
3X0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x0i by Molmil](/molmil-images/mine/3x0i) | ADP ribose pyrophosphatase in apo state at 0.91 angstrom resolution | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, SULFATE ION | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-16 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
|
|
3X0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x0m by Molmil](/molmil-images/mine/3x0m) | ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ESM-state at reaction time of 3 min | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-17 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
|
|
3X0P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x0p by Molmil](/molmil-images/mine/3x0p) | ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ESMM-state at reaction time of 15 min | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-17 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
|
|
3X0N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x0n by Molmil](/molmil-images/mine/3x0n) | ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ESM-state at reaction time of 6 min | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-17 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
|
|
3X0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3x0r by Molmil](/molmil-images/mine/3x0r) | DP ribose pyrophosphatase from Thermus thermophilus HB8 in E'-state at reaction time of 30 min | Descriptor: | ADP-ribose pyrophosphatase, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Furuike, Y, Akita, Y, Miyahara, I, Kamiya, N. | Deposit date: | 2014-10-17 | Release date: | 2016-04-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | ADP-Ribose Pyrophosphatase Reaction in Crystalline State Conducted by Consecutive Binding of Two Manganese(II) Ions as Cofactors Biochemistry, 55, 2016
|
|
8G9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g9c by Molmil](/molmil-images/mine/8g9c) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- difluoromethylenebisphosphonate inositol pentakisphosphate (5-PCF2P-IP5), an analogue of 5-InsP7 | Descriptor: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, FLUORIDE ION, ... | Authors: | Zong, G, Wang, H, Shears, S. | Deposit date: | 2023-02-21 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs. Chemistry, 29, 2023
|
|
8G9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g9d by Molmil](/molmil-images/mine/8g9d) | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- phosphonodifluoroacetamide inositol pentakisphosphate (5-PCF2Am-InsP5), an analogue of 5-InsP7 | Descriptor: | (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 1 | Authors: | Zong, G, Wang, H, Shears, S. | Deposit date: | 2023-02-21 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs. Chemistry, 29, 2023
|
|
8I1C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i1c by Molmil](/molmil-images/mine/8i1c) | |
8I1A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i1a by Molmil](/molmil-images/mine/8i1a) | |
8I1I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i1i by Molmil](/molmil-images/mine/8i1i) | Crystal structure of human MTH1(G2K/D120N mutant) in complex with 2-oxo-dATP at pH 7.7 | Descriptor: | 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 | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2023-01-13 | Release date: | 2023-03-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition. Febs Lett., 597, 2023
|
|
8I1D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i1d by Molmil](/molmil-images/mine/8i1d) | Crystal structure of human MTH1(G2K mutant) in complex with 2-oxo-dATP at pH 7.7 | Descriptor: | 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 | Authors: | Nakamura, T, Yamagata, Y. | Deposit date: | 2023-01-13 | Release date: | 2023-03-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition. Febs Lett., 597, 2023
|
|