4J7D
| The 1.25A crystal structure of humanized Xenopus MDM2 with a nutlin fragment, RO5045331 | 分子名称: | (4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Janson, C, Lukacs, C, Graves, B. | 登録日 | 2013-02-13 | 公開日 | 2013-08-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor. ACS Med Chem Lett, 4, 2013
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4J74
| The 1.2A crystal structure of humanized Xenopus MDM2 with RO0503918 - a nutlin fragment | 分子名称: | (4S,5R)-4,5-bis(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-imidazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Janson, C, Lukacs, C, Kammlott, U, Graves, B. | 登録日 | 2013-02-12 | 公開日 | 2013-08-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor. ACS Med Chem Lett, 4, 2013
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4J7E
| The 1.63A crystal structure of humanized Xenopus MDM2 with a nutlin fragment, RO5524529 | 分子名称: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(4S,5R)-4,5-bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]piperazin-1-yl}methanone | 著者 | Janson, C, Lukacs, C, Graves, B. | 登録日 | 2013-02-13 | 公開日 | 2013-08-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Deconstruction of a nutlin: dissecting the binding determinants of a potent protein-protein interaction inhibitor. ACS Med Chem Lett, 4, 2013
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3ORN
| Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP | 分子名称: | 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | 登録日 | 2010-09-07 | 公開日 | 2011-03-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent. Bioorg.Med.Chem.Lett., 21, 2011
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3OS3
| Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP | 分子名称: | 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | 著者 | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | 登録日 | 2010-09-08 | 公開日 | 2011-07-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent. Bioorg.Med.Chem.Lett., 21, 2011
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4HYS
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1VJY
| Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor | 分子名称: | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE, TGF-beta receptor type I | 著者 | Gellibert, F, Woolven, J, Fouchet, M.-H, Mathews, N, Goodland, H, Lovegrove, V, Laroze, A, Nguyen, V.-L, Sautet, S, Wang, R, Janson, C, Smith, W, Krysa, G, Boullay, V, de Gouville, A.-C, Huet, S, Hartley, D. | 登録日 | 2004-04-07 | 公開日 | 2004-08-31 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of 1,5-Naphthyridine Derivatives as a Novel Series of Potent and Selective TGF-beta Type I Receptor Inhibitors. J.Med.Chem., 47, 2004
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6HRP
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4LWU
| The 1.14A Crystal Structure of Humanized Xenopus MDM2 with RO5499252 | 分子名称: | (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Graves, B.J, Lukacs, C, Janson, C.A. | 登録日 | 2013-07-28 | 公開日 | 2014-07-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy. Bioorg.Med.Chem., 22, 2014
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4MQ2
| The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ... | 著者 | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | 登録日 | 2013-09-15 | 公開日 | 2013-12-11 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4MQ1
| The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... | 著者 | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | 登録日 | 2013-09-15 | 公開日 | 2013-12-11 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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3VBG
| Structure of hDM2 with Dimer Inducing Indolyl Hydantoin RO-2443 | 分子名称: | (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione, E3 ubiquitin-protein ligase Mdm2 | 著者 | Lukacs, C.M, Janson, C.A, Graves, B.J. | 登録日 | 2012-01-02 | 公開日 | 2012-06-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization. Proc.Natl.Acad.Sci.USA, 109, 2012
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3U15
| Structure of hDMX with Dimer Inducing Indolyl Hydantoin RO-2443 | 分子名称: | (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione, Protein Mdm4, SULFATE ION | 著者 | Lukacs, C.M, Janson, C.A, Graves, B.J. | 登録日 | 2011-09-29 | 公開日 | 2012-06-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization. Proc.Natl.Acad.Sci.USA, 109, 2012
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5C5Q
| CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | 分子名称: | (3R)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ... | 著者 | Lukacs, C.M, Janson, C.A. | 登録日 | 2015-06-21 | 公開日 | 2015-08-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5C5R
| CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | 分子名称: | (7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile, SULFATE ION, Tankyrase-2, ... | 著者 | Lukacs, C.M, Janson, C.A. | 登録日 | 2015-06-21 | 公開日 | 2015-08-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5C5P
| CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | 分子名称: | (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ... | 著者 | Lukacs, C.M, Janson, C.A. | 登録日 | 2015-06-21 | 公開日 | 2015-08-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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4JSC
| The 2.5A crystal structure of humanized Xenopus MDM2 with RO5316533 - a pyrrolidine MDM2 inhibitor | 分子名称: | (3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide, E3 ubiquitin-protein ligase Mdm2 | 著者 | Janson, C.A, Lukacs, C, Graves, B. | 登録日 | 2013-03-22 | 公開日 | 2013-07-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development. J.Med.Chem., 56, 2013
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4JRG
| The 1.9A crystal structure of humanized Xenopus MDM2 with RO5313109 - a pyrrolidine MDM2 inhibitor | 分子名称: | (3R,4R,5S)-3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)-D-prolinamide, E3 ubiquitin-protein ligase Mdm2 | 著者 | Graves, B.J, Janson, C.A, Lukacs, C. | 登録日 | 2013-03-21 | 公開日 | 2013-07-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of RG7388, a Potent and Selective p53-MDM2 Inhibitor in Clinical Development. J.Med.Chem., 56, 2013
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8GJS
| Stapled Peptide ALRN-6924 Bound to MDMX | 分子名称: | ACE-LEU-THR-PHE-ALA-GLU-TYR-TRP-ALA-GLN-LEU-DAL-ALA-ALA-ALA-ALA-ALA-DAL, Protein Mdm4 | 著者 | Graves, B.J, Janson, C, Lukacs, C. | 登録日 | 2023-03-16 | 公開日 | 2023-07-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery of Sulanemadlin (ALRN-6924), the First Cell-Permeating, Stabilized alpha-Helical Peptide in Clinical Development. J.Med.Chem., 66, 2023
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4HYU
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3MJ1
| X-ray crystal structure of ITK complexed with inhibitor RO5191614 | 分子名称: | 7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)phthalazin-1(2H)-one, Tyrosine-protein kinase ITK/TSK | 著者 | Kuglstatter, A, Villasenor, A.G. | 登録日 | 2010-04-12 | 公開日 | 2010-06-30 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation. Chem.Biol.Drug Des., 76, 2010
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3MIY
| X-ray crystal structure of ITK complexed with sunitinib | 分子名称: | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, Tyrosine-protein kinase ITK/TSK | 著者 | Kuglstatter, A, Villasenor, A.G. | 登録日 | 2010-04-12 | 公開日 | 2010-06-30 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation. Chem.Biol.Drug Des., 76, 2010
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3MJ2
| X-ray crystal structure of ITK complexed with inhibitor BMS-509744 | 分子名称: | N-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(1S)-1,2,2-trimethylpropyl]amino}methyl)benzamide, Tyrosine-protein kinase ITK/TSK | 著者 | Kuglstatter, A, Villasenor, A.G. | 登録日 | 2010-04-12 | 公開日 | 2010-06-30 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation. Chem.Biol.Drug Des., 76, 2010
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3WIG
| Human MEK1 kinase in complex with CH5126766 and MgAMP-PNP | 分子名称: | CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | 著者 | Lukacs, C.M, Janson, C, Schuck, V. | 登録日 | 2013-09-12 | 公開日 | 2014-06-04 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Disruption of CRAF-Mediated MEK Activation Is Required for Effective MEK Inhibition in KRAS Mutant Tumors Cancer Cell, 25, 2014
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5B7V
| Human FGFR1 kinase in complex with CH5183284 | 分子名称: | Fibroblast growth factor receptor 1, SULFATE ION, [5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone | 著者 | Fukami, T.A, Lukacs, C.M, Janson, C. | 登録日 | 2016-06-09 | 公開日 | 2016-06-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | The fibroblast growth factor receptor genetic status as a potential predictor of the sensitivity to CH5183284/Debio 1347, a novel selective FGFR inhibitor Mol.Cancer Ther., 13, 2014
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