7R60
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![BU of 7r60 by Molmil](/molmil-images/mine/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
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![BU of 7r61 by Molmil](/molmil-images/mine/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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7KXL
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![BU of 7kxl by Molmil](/molmil-images/mine/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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7KXM
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![BU of 7kxm by Molmil](/molmil-images/mine/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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6DI9
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![BU of 6di9 by Molmil](/molmil-images/mine/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
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![BU of 6di5 by Molmil](/molmil-images/mine/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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6DI3
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![BU of 6di3 by Molmil](/molmil-images/mine/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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1P73
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![BU of 1p73 by Molmil](/molmil-images/mine/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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1P72
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![BU of 1p72 by Molmil](/molmil-images/mine/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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1P75
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![BU of 1p75 by Molmil](/molmil-images/mine/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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1P6X
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![BU of 1p6x by Molmil](/molmil-images/mine/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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1P7C
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![BU of 1p7c by Molmil](/molmil-images/mine/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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4XUZ
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![BU of 4xuz by Molmil](/molmil-images/mine/4xuz) | |
3VFI
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![BU of 3vfi by Molmil](/molmil-images/mine/3vfi) | Crystal Structure of a Metagenomic Thioredoxin | 分子名称: | thioredoxin | 著者 | Craig, T.K, Gardberg, A, Lorimer, D.D, Burgin Jr, A.B, Segall, A, Rohwer, F. | 登録日 | 2012-01-09 | 公開日 | 2013-01-23 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure of a Metagenomic Thioredoxin To be Published
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3MEQ
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![BU of 3meq by Molmil](/molmil-images/mine/3meq) | Crystal structure of alcohol dehydrogenase from Brucella melitensis | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase, ... | 著者 | Arakaki, T.L, Staker, B.L, Gardberg, A, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2010-03-31 | 公開日 | 2010-04-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of alcohol dehydrogenase from Brucella melitensis To be Published
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4F83
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![BU of 4f83 by Molmil](/molmil-images/mine/4f83) | Crystal structure of the receptor binding domain of botulinum neurotoxin mosaic serotype C/D with a tetraethylene glycol molecule bound on the Hcn sub-domain and a sulfate ion at the putative active site | 分子名称: | GLYCEROL, SULFATE ION, TETRAETHYLENE GLYCOL, ... | 著者 | Zhang, Y, Buchko, G.W, Gardberg, A, Edwards, T.E, Sankaran, B, Robinson, H, Varnum, S.M, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2012-05-16 | 公開日 | 2012-06-20 | 最終更新日 | 2013-06-12 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural insights into the functional role of the Hcn sub-domain of the receptor-binding domain of the botulinum neurotoxin mosaic serotype C/D. Biochimie, 95, 2013
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