PDB: 2356 件ウェブページステータス検索Chemie searchBIRD

---

5YA5	CRYSTAL STRUCTURE OF c-MET IN COMPLEX WITH NOVEL INHIBITOR 分子名称: 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole, Hepatocyte growth factor receptor 著者 Liu, Q, Xu, Y. 登録日 2017-08-30 公開日 2018-07-04 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Discovery, optimization and biological evaluation for novel c-Met kinase inhibitors Eur J Med Chem, 143, 2018
5X28	Crystal structure of EGFR 696-1022 L858R in complex with SKLB(6) 分子名称: 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor 著者 Yun, C.H. 登録日 2017-01-31 公開日 2018-02-07 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.952 Å) 主引用文献 Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
5X2C	Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(5) 分子名称: 1,2-ETHANEDIOL, 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, ... 著者 Yun, C.H. 登録日 2017-01-31 公開日 2018-02-21 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
5X2F	Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(6) 分子名称: 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, Epidermal growth factor receptor 著者 Yun, C.H. 登録日 2017-01-31 公開日 2018-02-07 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
5W84	CRYSTAL STRUCTURE OF IRAK-4 WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 4) 分子名称: 4-(benzylamino)-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4 著者 Sack, J.S. 登録日 2017-06-21 公開日 2017-10-11 最終更新日 2017-10-25 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
5W5J	Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases 分子名称: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION 著者 Kreusch, A, Spraggon, G. 登録日 2017-06-15 公開日 2017-10-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017
5Y25	EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062 分子名称: (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide, Epidermal growth factor receptor 著者 Shiroishi, M, Abe, Y, Caaveiro, J.M.M, Sakamoto, S, Morimoto, S, Fuchida, H, Shindo, N, Ojida, A. 登録日 2017-07-24 公開日 2018-07-25 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3.102 Å) 主引用文献 Selective and reversible modification of kinase cysteines with chlorofluoroacetamides. Nat.Chem.Biol., 15, 2019
5Y9T	Crystal Structure of EGFR T790M mutant in complex with naquotinib 分子名称: 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor 著者 Mimasu, S, Tomimoto, Y, Maiko, I, Yasushi, A, Tatsuya, N. 登録日 2017-08-28 公開日 2018-07-11 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3.25 Å) 主引用文献 Pharmacological and Structural Characterizations of Naquotinib, a Novel Third-Generation EGFR Tyrosine Kinase Inhibitor, inEGFR-Mutated Non-Small Cell Lung Cancer. Mol. Cancer Ther., 17, 2018
5WIK	JAK2 Pseudokinase in complex with BI-D1870 分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Tyrosine-protein kinase JAK2 著者 Li, Q, Eck, M.J, Li, K, Park, E. 登録日 2017-07-19 公開日 2018-08-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
5WIM	JAK2 Pseudokinase in complex with AT9283 分子名称: 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Tyrosine-protein kinase JAK2 著者 Li, Q, Eck, M.J, Li, K, Park, E. 登録日 2017-07-19 公開日 2018-08-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
5WIJ	JAK2 Pseudokinase in complex with NU6140 分子名称: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2 著者 Li, Q, Eck, M.J, Li, K, Park, E. 登録日 2017-07-19 公開日 2018-08-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
5WIL	JAK2 Pseudokinase in complex with AZD7762 分子名称: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, Tyrosine-protein kinase JAK2 著者 Li, Q, Eck, M.J, Li, K, Park, E. 登録日 2017-07-19 公開日 2018-08-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain. ACS Chem. Biol., 14, 2019
5WNO	Crystal structure of C. elegans LET-23 kinase domain complexed with AMP-PNP 分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Receptor tyrosine-protein kinase let-23 著者 Liu, L, Thaker, T.M, Jura, N. 登録日 2017-08-01 公開日 2018-01-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.386 Å) 主引用文献 Regulation of Kinase Activity in the Caenorhabditis elegans EGF Receptor, LET-23. Structure, 26, 2018
5X27	Crystal structure of EGFR 696-1022 L858R in complex with SKLB(5) 分子名称: 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine, CHLORIDE ION, Epidermal growth factor receptor 著者 Yun, C.H. 登録日 2017-01-31 公開日 2018-02-07 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.952 Å) 主引用文献 Structural insights into drug development strategy targeting EGFR T790M/C797S. Oncotarget, 9, 2018
5XY1	Crystal structure of Lyn kinase domain in complex with N-(1H-indazol-6-yl)-8-(piperidin-4-yloxy)-6-propylquinazolin-2-amine 分子名称: N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propyl-quinazolin-2-amine, Tyrosine-protein kinase Lyn 著者 Kim, H.T. 登録日 2017-07-05 公開日 2017-08-02 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of Lyn kinase domain in complex with N-(1H-indazol-6-yl)-8-(piperidin-4-yloxy)-6-propylquinazolin-2-amine To Be Published
2O8Y	Apo IRAK4 Kinase Domain 分子名称: Interleukin-1 receptor-associated kinase 4 著者 Boriack-Sjodin, P.A, Mol, C. 登録日 2006-12-12 公開日 2007-12-25 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structures of the apo and inhibited IRAK4 kinase domain To be Published
5WR7	Crystal structure of Trk-A complexed with a selective inhibitor CH7057288 分子名称: High affinity nerve growth factor receptor, N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide 著者 Tanaka, H, Blaesse, M, Augustin, M, Goesser, C. 登録日 2016-11-30 公開日 2017-12-06 最終更新日 2018-12-19 実験手法 X-RAY DIFFRACTION (2.76 Å) 主引用文献 Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer. Mol. Cancer Ther., 17, 2018
2OFU	x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck 分子名称: 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION 著者 Huang, X. 登録日 2007-01-04 公開日 2007-02-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity J.Med.Chem., 49, 2006
2OH4	Crystal structure of Vegfr2 with a benzimidazole-urea inhibitor 分子名称: METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE, SULFATE ION, Vascular endothelial growth factor receptor 2 著者 Nolte, R.T, Wang, L. 登録日 2007-01-09 公開日 2007-09-18 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovery of Novel Benzimidazoles as Potent Inhibitors of TIE-2 and VEGFR-2 Tyrosine Kinase Receptors. J.Med.Chem., 50, 2007
5Y5T	Crystal structures of spleen tyrosine kinase in complex with a novel inhibitor 分子名称: 2-[[(1S,2S)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6H-pyrido[4,3-d]pyrimidin-5-one, Tyrosine-protein kinase SYK 著者 Lee, S.J, Lee, B.I. 登録日 2017-08-09 公開日 2018-06-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structures of Spleen Tyrosine Kinase in Complex with Two Novel 4-Aminopyrido[4,3-d] Pyrimidine Derivative Inhibitors. Mol. Cells, 41, 2018
2OIB	Crystal structure of IRAK4 kinase domain apo form 分子名称: Interleukin-1 receptor-associated kinase 4 著者 Kuglstatter, A, Villasenor, A.G, Browner, M.F. 登録日 2007-01-10 公開日 2007-03-20 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations. J.Immunol., 178, 2007
2OF4	crystal structure of furanopyrimidine 1 bound to lck 分子名称: 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE, Proto-oncogene tyrosine-protein kinase LCK 著者 Martin, M.W. 登録日 2007-01-02 公開日 2007-02-27 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: Synthesis, SAR, and pharmacokinetic properties. Bioorg.Med.Chem.Lett., 17, 2007
2OFV	crystal structure of aminoquinazoline 1 bound to Lck 分子名称: 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK 著者 Huang, X. 登録日 2007-01-04 公開日 2007-02-27 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
5W85	CRYSTAL STRUCTURE OF IRAK-4 WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 9) 分子名称: 6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-methylpyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4 著者 Sack, J.S. 登録日 2017-06-21 公開日 2017-10-11 最終更新日 2017-10-25 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
5WAL	Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model 分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2 著者 Ultsch, M.H, Magnuson, S. 登録日 2017-06-26 公開日 2017-09-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model. Bioorg. Med. Chem. Lett., 27, 2017

<20212223242526272829303132333435>