7R60
 
 | | BTK in complex with 18A | | 分子名称: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2021-06-22 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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7R61
 | | BTK in complex with 25A | | 分子名称: | 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2021-06-22 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity.
Chemmedchem, 16, 2021
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6PF1
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6PGU
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1P72
 | | Crystal structure of EHV4-TK complexed with Thy and ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, THYMIDINE, ... | | 著者 | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | | 登録日 | 2003-04-30 | | 公開日 | 2003-11-04 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
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1P73
 | | Crystal structure of EHV4-TK complexed with TP4A | | 分子名称: | P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE, SULFATE ION, Thymidine kinase | | 著者 | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | | 登録日 | 2003-04-30 | | 公開日 | 2003-11-04 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
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6V90
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6V8N
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6V8K
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6V8B
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2R0Z
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2R0W
 | | PFA2 FAB complexed with Abeta1-8 | | 分子名称: | Amyloid beta peptide fragment, IgG2a Fab fragment heavy chain, Fd portion, ... | | 著者 | Gardberg, A.S, Dealwis, C. | | 登録日 | 2007-08-21 | | 公開日 | 2007-10-16 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | | 主引用文献 | Molecular basis for passive immunotherapy of Alzheimer's disease
Proc.Natl.Acad.Sci.Usa, 104, 2007
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1P75
 | | Crystal structure of EHV4-TK complexed with TP5A | | 分子名称: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SULFATE ION, Thymidine kinase | | 著者 | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | | 登録日 | 2003-04-30 | | 公開日 | 2003-11-04 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | | 主引用文献 | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
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7KXL
 | | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | | 分子名称: | 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2020-12-04 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
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1P6X
 | | Crystal structure of EHV4-TK complexed with Thy and SO4 | | 分子名称: | SULFATE ION, THYMIDINE, Thymidine kinase | | 著者 | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | | 登録日 | 2003-04-30 | | 公開日 | 2003-11-04 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
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7KXM
 | | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | | 分子名称: | 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2020-12-04 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
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6DI3
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | | 分子名称: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | 著者 | GARDBERG, A. | | 登録日 | 2018-05-22 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
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6DI9
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | | 分子名称: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | GARDBERG, A. | | 登録日 | 2018-05-23 | | 公開日 | 2018-09-05 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
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6DI5
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | | 分子名称: | 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2018-05-22 | | 公開日 | 2018-09-05 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
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1P7C
 | | Crystal Structure of HSV1-TK complexed with TP5A | | 分子名称: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SULFATE ION, THYMIDINE, ... | | 著者 | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | | 登録日 | 2003-05-01 | | 公開日 | 2003-11-04 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
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5P9F
 | | BTK IN COMPLEX WITH GDC-0834 | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, ... | | 著者 | Gardberg, A.S. | | 登録日 | 2016-09-20 | | 公開日 | 2017-05-24 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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5P9I
 | | BTK1 SOAKED WITH IBRUTINIB-Rev | | 分子名称: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A.S. | | 登録日 | 2016-09-20 | | 公開日 | 2017-05-24 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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5P9H
 | | BTK1 COCRYSTALLIZED WITH RN983 | | 分子名称: | 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A.S. | | 登録日 | 2016-09-20 | | 公開日 | 2017-05-24 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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5P9J
 | | BTK1 COCRYSTALLIZED WITH IBRUTINIB | | 分子名称: | 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A.S. | | 登録日 | 2016-09-20 | | 公開日 | 2017-05-24 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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5P9L
 | | BTK1 IN COMPLEX WITH CC 292 | | 分子名称: | Tyrosine-protein kinase BTK, ~{N}-[3-[[5-fluoranyl-2-[[4-(2-methoxyethoxy)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propanamide | | 著者 | Gardberg, A.S. | | 登録日 | 2016-09-20 | | 公開日 | 2017-05-24 | | 最終更新日 | 2021-11-17 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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