7R60
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![BU of 7r60 by Molmil](/molmil-images/mine/7r60) | BTK in complex with 18A | Descriptor: | 2-(4-phenoxyphenoxy)-5-[(3R)-1-(prop-2-enoyl)piperidin-3-yl]pyridine-3-carboxamide, Tyrosine-protein kinase BTK | Authors: | Gardberg, A. | Deposit date: | 2021-06-22 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery of Covalent Bruton's Tyrosine Kinase Inhibitors with Decreased CYP2C8 Inhibitory Activity. Chemmedchem, 16, 2021
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7R61
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![BU of 7r61 by Molmil](/molmil-images/mine/7r61) | BTK in complex with 25A | Descriptor: | 5-{(3S)-1-[(Z)-iminomethyl]piperidin-3-yl}-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Gardberg, A. | Deposit date: | 2021-06-22 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | 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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![BU of 6pf1 by Molmil](/molmil-images/mine/6pf1) | |
6PGU
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![BU of 6pgu by Molmil](/molmil-images/mine/6pgu) | |
6V90
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![BU of 6v90 by Molmil](/molmil-images/mine/6v90) | |
6V8K
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![BU of 6v8k by Molmil](/molmil-images/mine/6v8k) | |
6V8N
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![BU of 6v8n by Molmil](/molmil-images/mine/6v8n) | |
6V8B
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![BU of 6v8b by Molmil](/molmil-images/mine/6v8b) | |
2R0Z
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![BU of 2r0z by Molmil](/molmil-images/mine/2r0z) | PFA1 FAB complexed with GripI peptide fragment | Descriptor: | GLYCEROL, GripI peptide fragment, IgG2a Fab fragment heavy chain, ... | Authors: | Gardberg, A.S, Dealwis, C. | Deposit date: | 2007-08-21 | Release date: | 2007-10-16 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Molecular basis for passive immunotherapy of Alzheimer's disease Proc.Natl.Acad.Sci.Usa, 104, 2007
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2R0W
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![BU of 2r0w by Molmil](/molmil-images/mine/2r0w) | PFA2 FAB complexed with Abeta1-8 | Descriptor: | Amyloid beta peptide fragment, IgG2a Fab fragment heavy chain, Fd portion, ... | Authors: | Gardberg, A.S, Dealwis, C. | Deposit date: | 2007-08-21 | Release date: | 2007-10-16 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Molecular basis for passive immunotherapy of Alzheimer's disease Proc.Natl.Acad.Sci.Usa, 104, 2007
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7KXL
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![BU of 7kxl by Molmil](/molmil-images/mine/7kxl) | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | Descriptor: | 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 | Authors: | Gardberg, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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7KXM
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![BU of 7kxm by Molmil](/molmil-images/mine/7kxm) | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | Descriptor: | 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 | Authors: | Gardberg, A. | Deposit date: | 2020-12-04 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40, 2021
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6DI9
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![BU of 6di9 by Molmil](/molmil-images/mine/6di9) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | Descriptor: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | GARDBERG, A. | Deposit date: | 2018-05-23 | Release date: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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6DI5
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![BU of 6di5 by Molmil](/molmil-images/mine/6di5) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | Descriptor: | 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 | Authors: | Gardberg, A. | Deposit date: | 2018-05-22 | Release date: | 2018-09-05 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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6DI3
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![BU of 6di3 by Molmil](/molmil-images/mine/6di3) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | Descriptor: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | Authors: | GARDBERG, A. | Deposit date: | 2018-05-22 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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1P6X
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![BU of 1p6x by Molmil](/molmil-images/mine/1p6x) | Crystal structure of EHV4-TK complexed with Thy and SO4 | Descriptor: | SULFATE ION, THYMIDINE, Thymidine kinase | Authors: | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | Deposit date: | 2003-04-30 | Release date: | 2003-11-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases. Structure, 11, 2003
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1P73
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![BU of 1p73 by Molmil](/molmil-images/mine/1p73) | Crystal structure of EHV4-TK complexed with TP4A | Descriptor: | P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE, SULFATE ION, Thymidine kinase | Authors: | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | Deposit date: | 2003-04-30 | Release date: | 2003-11-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases. Structure, 11, 2003
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1P72
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![BU of 1p72 by Molmil](/molmil-images/mine/1p72) | Crystal structure of EHV4-TK complexed with Thy and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, THYMIDINE, ... | Authors: | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | Deposit date: | 2003-04-30 | Release date: | 2003-11-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases. Structure, 11, 2003
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1P75
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![BU of 1p75 by Molmil](/molmil-images/mine/1p75) | Crystal structure of EHV4-TK complexed with TP5A | Descriptor: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SULFATE ION, Thymidine kinase | Authors: | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | Deposit date: | 2003-04-30 | Release date: | 2003-11-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases. Structure, 11, 2003
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1P7C
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![BU of 1p7c by Molmil](/molmil-images/mine/1p7c) | Crystal Structure of HSV1-TK complexed with TP5A | Descriptor: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SULFATE ION, THYMIDINE, ... | Authors: | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | Deposit date: | 2003-05-01 | Release date: | 2003-11-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases. Structure, 11, 2003
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2IQA
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![BU of 2iqa by Molmil](/molmil-images/mine/2iqa) | PFA2 FAB fragment, monoclinic apo form | Descriptor: | ACETAMIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Gardberg, A.S, Dealwis, C. | Deposit date: | 2006-10-13 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for passive immunotherapy of Alzheimer's disease Proc.Natl.Acad.Sci.Usa, 104, 2007
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5P9I
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![BU of 5p9i by Molmil](/molmil-images/mine/5p9i) | BTK1 SOAKED WITH IBRUTINIB-Rev | Descriptor: | 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 | Authors: | Gardberg, A.S. | Deposit date: | 2016-09-20 | Release date: | 2017-05-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | 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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5P9F
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![BU of 5p9f by Molmil](/molmil-images/mine/5p9f) | BTK IN COMPLEX WITH GDC-0834 | Descriptor: | 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, ... | Authors: | Gardberg, A.S. | Deposit date: | 2016-09-20 | Release date: | 2017-05-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | 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
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![BU of 5p9j by Molmil](/molmil-images/mine/5p9j) | BTK1 COCRYSTALLIZED WITH IBRUTINIB | Descriptor: | 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 | Authors: | Gardberg, A.S. | Deposit date: | 2016-09-20 | Release date: | 2017-05-24 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | 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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2IQ9
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![BU of 2iq9 by Molmil](/molmil-images/mine/2iq9) | PFA2 FAB fragment, triclinic apo form | Descriptor: | ACETAMIDE, IgG2a Fab fragment PFA2 Kappa light chain, IgG2a Fab fragment PFA2 heavy chain | Authors: | Gardberg, A.S, Dealwis, C. | Deposit date: | 2006-10-13 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis for passive immunotherapy of Alzheimer's disease Proc.Natl.Acad.Sci.Usa, 104, 2007
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