4YHF
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![BU of 4yhf by Molmil](/molmil-images/mine/4yhf) | Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor | Descriptor: | (2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Paavilainen, V.O, McFarland, J.M, Taunton, J. | Deposit date: | 2015-02-27 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Prolonged and tunable residence time using reversible covalent kinase inhibitors. Nat.Chem.Biol., 11, 2015
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7L5O
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![BU of 7l5o by Molmil](/molmil-images/mine/7l5o) | Crystal structure of the noncovalently bonded complex of rilzabrutinib with BTK | Descriptor: | (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Bradshaw, J.M, Brameld, K.A, Mrosek, M, Lammens, A, Blaesse, M. | Deposit date: | 2020-12-22 | Release date: | 2022-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases To Be Published
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7L5P
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![BU of 7l5p by Molmil](/molmil-images/mine/7l5p) | Crystal structure of the covalently bonded complex of rilzabrutinib with BTK | Descriptor: | (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile, 1,2-ETHANEDIOL, SULFATE ION, ... | Authors: | Bradshaw, J.M, Brameld, K.A, Mrosek, M, Lammens, A, Blaesse, M. | Deposit date: | 2020-12-22 | Release date: | 2022-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases To Be Published
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3PIX
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![BU of 3pix by Molmil](/molmil-images/mine/3pix) | |
3PJ2
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![BU of 3pj2 by Molmil](/molmil-images/mine/3pj2) | |
3PIY
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![BU of 3piy by Molmil](/molmil-images/mine/3piy) | Crystal structure of BTK kinase domain complexed with R406 | Descriptor: | 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2010-11-08 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
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3PIZ
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![BU of 3piz by Molmil](/molmil-images/mine/3piz) | |
3PJ3
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![BU of 3pj3 by Molmil](/molmil-images/mine/3pj3) | |
3PJ1
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![BU of 3pj1 by Molmil](/molmil-images/mine/3pj1) | Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | Descriptor: | 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2010-11-08 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011
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