5F1L
| Crystal structure of the bromodomain of BRD9 in complex with compound 9. | 分子名称: | 5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 9 | 著者 | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2015-11-30 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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5EYM
| MEK1 IN COMPLEX WITH BI 847325 | 分子名称: | 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1 | 著者 | Bader, G, Reiser, U, Zahn, S.K, Treu, M. | 登録日 | 2015-11-25 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases. Mol.Cancer Ther., 15, 2016
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7AVT
| Crystal structure of SOS1 in complex with compound 7 | 分子名称: | IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-11-06 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
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7AVI
| Crystal structure of SOS1 in complex with compound 2 | 分子名称: | 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide, Son of sevenless homolog 1 | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-11-05 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
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7AVS
| Crystal structure of SOS1 in complex with compound 6 | 分子名称: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-11-06 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
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7AVU
| Crystal structure of SOS1 in complex with compound 8 | 分子名称: | IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-11-06 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
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7AVL
| Crystal structure of SOS1 in complex with compound 4 | 分子名称: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-11-05 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.718 Å) | 主引用文献 | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
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7AVV
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6S9B
| EGFR-KINASE IN COMPLEX WITH COMPOUND 1 | 分子名称: | 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide, Epidermal growth factor receptor | 著者 | Bader, G. | 登録日 | 2019-07-12 | 公開日 | 2019-11-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J.Med.Chem., 62, 2019
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6S9C
| EGFR-KINASE IN COMPLEX WITH COMPOUND 5 | 分子名称: | DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide | 著者 | Bader, G. | 登録日 | 2019-07-12 | 公開日 | 2019-11-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J.Med.Chem., 62, 2019
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6S9D
| EGFR-KINASE IN COMPLEX WITH COMPOUND 6 | 分子名称: | 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one, DIMETHYL SULFOXIDE, Epidermal growth factor receptor | 著者 | Bader, G. | 登録日 | 2019-07-12 | 公開日 | 2019-11-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J.Med.Chem., 62, 2019
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6I8Z
| Crystal structure of PTK2 in complex with BI-4464. | 分子名称: | 3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide, Focal adhesion kinase 1 | 著者 | Bader, G, Zoephel, A. | 登録日 | 2018-11-21 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Highly Selective PTK2 Proteolysis Targeting Chimeras to Probe Focal Adhesion Kinase Scaffolding Functions. J.Med.Chem., 62, 2019
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5CSW
| B-RAF in complex with Dabrafenib | 分子名称: | CHLORIDE ION, Dabrafenib, Serine/threonine-protein kinase B-raf | 著者 | Bader, G, Stadtmuller, H, Steurer, S. | 登録日 | 2015-07-23 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | A Novel RAF Kinase Inhibitor with DFG-Out-Binding Mode: High Efficacy in BRAF-Mutant Tumor Xenograft Models in the Absence of Normal Tissue Hyperproliferation. Mol.Cancer Ther., 15, 2016
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5CSX
| CRYSTAL STRUCTURE OF B-RAF IN COMPLEX WITH BI 882370 | 分子名称: | N-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf, alpha-D-glucopyranose | 著者 | Bader, G, Stadtmuller, H, Steurer, S. | 登録日 | 2015-07-23 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | A Novel RAF Kinase Inhibitor with DFG-Out-Binding Mode: High Efficacy in BRAF-Mutant Tumor Xenograft Models in the Absence of Normal Tissue Hyperproliferation. Mol.Cancer Ther., 15, 2016
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8AG2
| Crystal structure of the BPTF bromodomain in complex with BI-7190 | 分子名称: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | 登録日 | 2022-07-19 | 公開日 | 2022-08-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.025 Å) | 主引用文献 | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments. Chemmedchem, 18, 2023
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8AHC
| Crystal structure of the BRD9 bromodomain with BI-7189 | 分子名称: | Bromodomain-containing protein 9, [2,6-dimethoxy-4-(1,2,5-trimethyl-6-oxidanylidene-pyridin-3-yl)phenyl]methyl-dimethyl-azanium | 著者 | Bader, G, Boettcher, J, Weiss-Puxbaum, A. | 登録日 | 2022-07-21 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | 主引用文献 | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments. Chemmedchem, 18, 2023
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3C7Q
| Structure of VEGFR2 kinase domain in complex with BIBF1120 | 分子名称: | SULFATE ION, Vascular endothelial growth factor receptor 2, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate | 著者 | Hilberg, F, Roth, G.J, Krssak, M, Kautschitsch, S, Sommergruber, W, Tontsch-Grunt, U, Garin-Chesa, P, Bader, G, Zoephel, A, Quant, J, Heckel, A, Rettig, W.J. | 登録日 | 2008-02-08 | 公開日 | 2008-12-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy. Cancer Res., 68, 2008
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4G5P
| Crystal structure of EGFR kinase T790M in complex with BIBW2992 | 分子名称: | Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide | 著者 | Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R. | 登録日 | 2012-07-18 | 公開日 | 2012-08-29 | 最終更新日 | 2012-10-31 | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | 主引用文献 | Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker. J.Pharmacol.Exp.Ther., 343, 2012
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4G5J
| Crystal structure of EGFR kinase in complex with BIBW2992 | 分子名称: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide | 著者 | Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R. | 登録日 | 2012-07-18 | 公開日 | 2012-08-29 | 最終更新日 | 2012-10-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker. J.Pharmacol.Exp.Ther., 343, 2012
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1CZ3
| DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA | 分子名称: | DIHYDROFOLATE REDUCTASE, SULFATE ION | 著者 | Dams, T, Auerbach, G, Bader, G, Ploom, T, Huber, R, Jaenicke, R. | 登録日 | 1999-09-01 | 公開日 | 2000-03-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The crystal structure of dihydrofolate reductase from Thermotoga maritima: molecular features of thermostability. J.Mol.Biol., 297, 2000
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1D1G
| DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA | 分子名称: | DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Dams, T, Auerbach, G, Bader, G, Ploom, T, Huber, R, Jaenicke, R. | 登録日 | 1999-09-16 | 公開日 | 2000-03-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The crystal structure of dihydrofolate reductase from Thermotoga maritima: molecular features of thermostability. J.Mol.Biol., 297, 2000
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1N3R
| Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I | 分子名称: | GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE | 著者 | Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M. | 登録日 | 2002-10-29 | 公開日 | 2003-10-14 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I J.MOL.BIOL., 326, 2003
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1N3S
| Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I | 分子名称: | GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE | 著者 | Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M. | 登録日 | 2002-10-29 | 公開日 | 2004-03-02 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I J.MOL.BIOL., 326, 2003
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1N3T
| Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I | 分子名称: | GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE | 著者 | Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M. | 登録日 | 2002-10-29 | 公開日 | 2003-10-14 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I J.MOL.BIOL., 326, 2003
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1FB1
| CRYSTAL STRUCTURE OF HUMAN GTP CYCLOHYDROLASE I | 分子名称: | GTP CYCLOHYDROLASE I, ISOPROPYL ALCOHOL, ZINC ION | 著者 | Auerbach, G, Herrmann, A, Bracher, A, Bader, G, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A. | 登録日 | 2000-07-14 | 公開日 | 2000-12-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Zinc plays a key role in human and bacterial GTP cyclohydrolase I. Proc.Natl.Acad.Sci.USA, 97, 2000
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