6AA3
| Crystal structure of MTH1 in apo form (cocktail No. 1) | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ZINC ION | Authors: | Yokoyama, T, Kitakami, R, Mizuguchi, M. | Deposit date: | 2018-07-17 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | Deposit date: | 2018-04-24 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, CYTIDINE-5'-DIPHOSPHATE, Putative mutator protein MutT2/NUDIX hydrolase | Authors: | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | Deposit date: | 2018-04-24 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2. J.Struct.Biol., 204, 2018
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5ZRC
| Structural insights into the catalysis mechanism of M. smegmatis antimutator protein MutT2 | Descriptor: | 1,2-ETHANEDIOL, Putative mutator protein MutT2/NUDIX hydrolase | Authors: | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | Deposit date: | 2018-04-24 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2. J.Struct.Biol., 204, 2018
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5ZRH
| M. smegmatis antimutator protein MutT2 in complex with CMP | Descriptor: | 1,2-ETHANEDIOL, CYTIDINE-5'-MONOPHOSPHATE, Putative mutator protein MutT2/NUDIX hydrolase | Authors: | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | Deposit date: | 2018-04-24 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), Putative mutator protein MutT2/NUDIX hydrolase | Authors: | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | Deposit date: | 2018-04-24 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | 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 | Descriptor: | 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, ... | Authors: | Yokoyama, T, Kitakami, R, Mizuguchi, M. | Deposit date: | 2018-07-17 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening. Eur J Med Chem, 167, 2019
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6B09
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6GLU
| Crystal structure of hMTH1 D120N in complex with LW14 in the presence of acetate | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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 | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.395 Å) | Cite: | hMTH1 N33A in complex with LW14 To Be Published
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6GLE
| Crystal structure of hMTH1 in complex with TH scaffold 1 in the presence of acetate | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | 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 | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | 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 | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | 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 | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.313 Å) | Cite: | 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 | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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 | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | hMTH1 N33G in complex with TH scaffold 1. To Be Published
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6GLH
| Crystal structure of hMTH1 F27A in complex with LW14 in the absence of acetate | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.201 Å) | Cite: | 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 | Descriptor: | 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | hMTH1 N33G in complex with LW14 To Be Published
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6GLJ
| Crystal structure of hMTH1 F27A in complex with TH scaffold 1 in the absence of acetate | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.301 Å) | Cite: | hMTH1 F27A in complex with TH scaffold 1. To Be Published
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6GLO
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6GLV
| Crystal structure of hMTH1 D120N in complex with TH scaffold 1 in the absence of acetate | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | hMTH1 D120N 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 | Descriptor: | 4-phenylpyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Eberle, S.A, Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2018-05-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | hMTH1 N33A in complex with TH scaffold 1 To Be Published
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