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

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4I0S	Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide 分子名称: 2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK 著者 Kuglstatter, A, Slade, M. 登録日 2012-11-19 公開日 2013-10-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors. J.Med.Chem., 56, 2013
4I0R	Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide 分子名称: N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK 著者 Kuglstatter, A, Villasenor, A.G. 登録日 2012-11-19 公開日 2013-10-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors. J.Med.Chem., 56, 2013
4HZS	Crystal structure of Ack1 kinase domain with C-terminal SH3 domain 分子名称: Activated CDC42 kinase 1 著者 Gajiwala, K.S. 登録日 2012-11-15 公開日 2013-02-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.23 Å) 主引用文献 Ack1: activation and regulation by allostery. Plos One, 8, 2013
4HZR	Crystal structure of Ack1 kinase domain 分子名称: 1,2-ETHANEDIOL, Activated CDC42 kinase 1, CHLORIDE ION, ... 著者 Gajiwala, K.S. 登録日 2012-11-15 公開日 2013-02-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Ack1: activation and regulation by allostery. Plos One, 8, 2013
4HW7	Crystal structure of FMS kinase domain with a small molecular inhibitor, PLX647-OME 分子名称: 5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor 著者 Zhang, Y, Zhang, C. 登録日 2012-11-07 公開日 2013-03-27 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.9001 Å) 主引用文献 Design and pharmacology of a highly specific dual FMS and KIT kinase inhibitor. Proc.Natl.Acad.Sci.USA, 110, 2013
4HVS	Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX647 分子名称: 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine, Mast/stem cell growth factor receptor Kit 著者 Zhang, Y, Zhang, C. 登録日 2012-11-06 公開日 2013-03-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Design and pharmacology of a highly specific dual FMS and KIT kinase inhibitor. Proc.Natl.Acad.Sci.USA, 110, 2013
4HVI	JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-amide 分子名称: 2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3 著者 Kuglstatter, A, Shao, A. 登録日 2012-11-06 公開日 2013-01-16 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models. J.Med.Chem., 56, 2013
4HVH	JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl 分子名称: 2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3 著者 Kuglstatter, A, Shao, A. 登録日 2012-11-06 公開日 2013-01-16 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models. J.Med.Chem., 56, 2013
4HVG	JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-hydroxy-1,2-dimethyl-propyl)-amide 分子名称: 2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3 著者 Kuglstatter, A, Shao, A. 登録日 2012-11-06 公開日 2013-01-16 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models. J.Med.Chem., 56, 2013
4HVD	JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide 分子名称: 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3 著者 Kuglstatter, A, Shao, A. 登録日 2012-11-06 公開日 2013-01-16 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models. J.Med.Chem., 56, 2013
4HJO	Crystal structure of the inactive EGFR tyrosine kinase domain with erlotinib 分子名称: Epidermal growth factor receptor, [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE 著者 Park, J.H, Lemmon, M.A. 登録日 2012-10-13 公開日 2012-11-14 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Erlotinib binds both inactive and active conformations of the EGFR tyrosine kinase domain. Biochem.J., 448, 2012
4HGE	JAK2 kinase (JH1 domain) in complex with compound 8 分子名称: N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK2 著者 Eigenbrot, C, Ultsch, M. 登録日 2012-10-08 公開日 2012-10-24 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors. J.Med.Chem., 55, 2012
4HCV	Crystal structure of ITK in complex with compound 53 分子名称: 3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide, Tyrosine-protein kinase ITK/TSK 著者 Han, S, Caspers, N. 登録日 2012-10-01 公開日 2012-11-14 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay. J.Med.Chem., 55, 2012
4HCU	Crystal structure of ITK in complext with compound 40 分子名称: 3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide, Tyrosine-protein kinase ITK/TSK 著者 Han, S, Caspers, N. 登録日 2012-10-01 公開日 2012-11-14 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay. J.Med.Chem., 55, 2012
4HCT	Crystal structure of ITK in complex with compound 52 分子名称: 3-{1-[(3R)-1-acryloylpiperidin-3-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(3-tert-butylphenyl)benzamide, Tyrosine-protein kinase ITK/TSK 著者 Zapf, C.W, Gerstenberger, B.S, Xing, L, Limburg, D.C, Anderson, D.R, Caspers, N, Han, S, Aulabaugh, A, Kurumbail, R, Shakya, S, Li, X, Spaulding, V, Czerwinski, R.M, Seth, N, Medley, Q.G. 登録日 2012-10-01 公開日 2012-11-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay. J.Med.Chem., 55, 2012
4H58	BRAF in complex with compound 3 分子名称: CHLORIDE ION, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, Serine/threonine-protein kinase B-raf 著者 Vasbinder, M, Aquila, B, Augustin, M, Chueng, T, Cook, D, Drew, L, Fauber, B, Glossop, S, Godin, R, Grondine, M, Hennessy, E, Johannes, J, Lee, S, Lyne, P, Moertl, M, Omer, C, Palakurthi, S, Pontz, T, Read, J, Sha, L, Shen, M, Steinbacher, S, Wang, H, Wu, A, Ye, M, Bagal, B. 登録日 2012-09-18 公開日 2013-02-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors. J.Med.Chem., 56, 2013
4H1M	Crystal structure of PYK2 with the indole 10c 分子名称: 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta 著者 Han, S. 登録日 2012-09-10 公開日 2012-11-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
4H1J	Crystal structure of PYK2 with the pyrazole 13a 分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea, Protein-tyrosine kinase 2-beta 著者 Han, S. 登録日 2012-09-10 公開日 2012-11-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
4GVJ	Tyk2 (JH1) in complex with adenosine di-phosphate 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2 著者 Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S. 登録日 2012-08-30 公開日 2013-08-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
4GU9	Focal adhesion kinase catalytic domain in complex with (2-Fluoro-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine 分子名称: Focal adhesion kinase 1, N-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 著者 Musil, D. 登録日 2012-08-29 公開日 2013-09-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors. J.Med.Chem., 56, 2013
4GU6	FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-{3-[(5-Cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)- methyl]-pyridin-2-yl}-N-methyl-methanesulfonamide 分子名称: Focal adhesion kinase 1, N-(3-{[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-N-methylmethanesulfonamide 著者 Musil, D, Heinrich, T. 登録日 2012-08-29 公開日 2013-09-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors. J.Med.Chem., 56, 2013
4GT5	Crystal structure of the inactive TrkA kinase domain 分子名称: High affinity nerve growth factor receptor 著者 Artim, S.C, Lemmon, M.A. 登録日 2012-08-28 公開日 2012-09-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.398 Å) 主引用文献 Assessing the range of kinase autoinhibition mechanisms in the insulin receptor family. Biochem.J., 448, 2012
4GT4	Structure of unliganded, inactive Ror2 kinase domain 分子名称: NITRATE ION, Tyrosine-protein kinase transmembrane receptor ROR2 著者 Mendrola, J.M, Lemmon, M.A. 登録日 2012-08-28 公開日 2012-09-26 最終更新日 2012-11-21 実験手法 X-RAY DIFFRACTION (2.406 Å) 主引用文献 Assessing the range of kinase autoinhibition mechanisms in the insulin receptor family. Biochem.J., 448, 2012
4GS6	Irreversible Inhibition of TAK1 Kinase by 5Z-7-Oxozeaenol 分子名称: (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, 1,2-ETHANEDIOL, Tak1-Tab1 fusion protein 著者 Larsen, N.A, Ferguson, A.D, Wu, J. 登録日 2012-08-27 公開日 2013-01-23 最終更新日 2017-08-02 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Mechanism and In Vitro Pharmacology of TAK1 Inhibition by (5Z)-7-Oxozeaenol. Acs Chem.Biol., 8, 2013
4GMY	JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE 分子名称: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Tyrosine-protein kinase JAK2 著者 Murray, J.M, Shia, S. 登録日 2012-08-16 公開日 2013-06-19 最終更新日 2013-08-07 実験手法 X-RAY DIFFRACTION (2.403 Å) 主引用文献 Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013

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