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BU of 4yhf by Molmil

Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor
分子名称:	(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, ...
著者	Paavilainen, V.O, McFarland, J.M, Taunton, J.
登録日	2015-02-27
公開日	2015-05-13
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Prolonged and tunable residence time using reversible covalent kinase inhibitors. Nat.Chem.Biol., 11, 2015

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BU of 7l5o by Molmil

Crystal structure of the noncovalently bonded complex of rilzabrutinib with BTK
分子名称:	(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, ...
著者	Bradshaw, J.M, Brameld, K.A, Mrosek, M, Lammens, A, Blaesse, M.
登録日	2020-12-22
公開日	2022-06-29
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (1.21 Å)
主引用文献	The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases To Be Published

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BU of 7l5p by Molmil

Crystal structure of the covalently bonded complex of rilzabrutinib with BTK
分子名称:	(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, ...
著者	Bradshaw, J.M, Brameld, K.A, Mrosek, M, Lammens, A, Blaesse, M.
登録日	2020-12-22
公開日	2022-06-29
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (2.14 Å)
主引用文献	The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases To Be Published

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BU of 3pix by Molmil

Crystal structure of BTK kinase domain complexed with 2-Isopropyl-7-(4-methyl-piperazin-1-yl)-4-(5-methyl-2H-pyrazol-3-ylamino)-2H-phthalazin-1-one
分子名称:	7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2H)-one, Tyrosine-protein kinase BTK
著者	Kuglstatter, A, Wong, A.
登録日	2010-11-08
公開日	2011-01-12
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011

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BU of 3pj2 by Molmil

Crystal structure of BTK kinase domain complexed with 2-[4-(2-Diethylamino-ethoxy)-phenylamino]-6-(4-fluoro-phenoxy)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称:	2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Tyrosine-protein kinase BTK
著者	Kuglstatter, A, Wong, A.
登録日	2010-11-08
公開日	2011-01-12
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.75 Å)
主引用文献	Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011

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BU of 3piy by Molmil

Crystal structure of BTK kinase domain complexed with R406
分子名称:	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
著者	Kuglstatter, A, Wong, A.
登録日	2010-11-08
公開日	2011-01-12
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.55 Å)
主引用文献	Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011

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BU of 3piz by Molmil

Crystal structure of BTK kinase domain complexed with (5-Amino-1-o-tolyl-1H-pyrazol-4-yl)-[3-(1-methanesulfonyl-piperidin-4-yl)-phenyl]-methanone
分子名称:	Tyrosine-protein kinase BTK, [5-amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone
著者	Kuglstatter, A, Wong, A.
登録日	2010-11-08
公開日	2011-01-12
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.21 Å)
主引用文献	Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011

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BU of 3pj3 by Molmil

Crystal structure of BTK kinase domain complexed with 2-Methyl-5-[(E)-(3-phenyl-acryloyl)amino]-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-benzamide
分子名称:	2-methyl-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-5-{[(2E)-3-phenylprop-2-enoyl]amino}benzamide, Tyrosine-protein kinase BTK
著者	Kuglstatter, A, Wong, A.
登録日	2010-11-08
公開日	2011-01-12
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011

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BU of 3pj1 by Molmil

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
分子名称:	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
著者	Kuglstatter, A, Wong, A.
登録日	2010-11-08
公開日	2011-01-12
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011

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