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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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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5L8U
| Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 5 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, TRIETHYLENE GLYCOL, ~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine | Authors: | Lolli, G, Marchand, J.-R, Caflisch, A. | Deposit date: | 2016-06-08 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. J. Med. Chem., 59, 2016
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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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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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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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5L8T
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5L98
| Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 4 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine | Authors: | Lolli, G, Marchand, J.-R, Caflisch, A. | Deposit date: | 2016-06-09 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.263 Å) | Cite: | Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. J. Med. Chem., 59, 2016
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5L99
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5MPZ
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5MQG
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5MGK
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7P8F
| Crystal structure of YTHDC1 with compound YLI_DC1_008 | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | Authors: | Bedi, R.K, Li, Y, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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5MGE
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5MGG
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5MGJ
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5MGL
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5MGF
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5MWH
| Crystal structure of the human BRPF1 bromodomain in complex with BZ089 | Descriptor: | NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2017-01-18 | Release date: | 2018-02-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018
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5MWZ
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7PJB
| Crystal structure of YTHDC1 with compound PSI_DC1_004 | Descriptor: | (R)-homoproline, GLYCEROL, SULFATE ION, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-08-23 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7PJ8
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