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

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3VJN	Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with AMPPNP. 分子名称: Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Semba, K, Yamamoto, T, Yokoyama, S. 登録日 2011-10-27 公開日 2012-03-07 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor. Oncogene, 32, 2013
3VID	Crystal structure of human VEGFR2 kinase domain with Compound A. 分子名称: 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2 著者 Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H. 登録日 2011-09-29 公開日 2012-08-15 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases. ACS MED.CHEM.LETT., 3, 2012
3VHK	Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder 分子名称: 1,2-ETHANEDIOL, Vascular endothelial growth factor receptor 2, {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol 著者 Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H. 登録日 2011-08-25 公開日 2012-09-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases. ACS MED.CHEM.LETT., 3, 2012
3VHE	Crystal structure of human VEGFR2 kinase domain with a novel pyrrolopyrimidine inhibitor. 分子名称: 1-{2-fluoro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea, Vascular endothelial growth factor receptor 2 著者 Oguro, Y, Miyamoto, N, Okada, K, Takagi, T, Iwata, H, Awazu, Y, Miki, H, Hori, A, Kamiyama, K, Imanura, S. 登録日 2011-08-24 公開日 2011-11-02 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Design, synthesis, and evaluation of 5-methyl-4-phenoxy-5H-pyrrolo[3,2-d]pyrimidine derivatives: novel VEGFR2 kinase inhibitors binding to inactive kinase conformation. Bioorg.Med.Chem., 18, 2010
3VF9	Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027 分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, Tyrosine-protein kinase SYK 著者 McLean, L.R, Zhang, Y. 登録日 2012-01-09 公開日 2012-05-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg.Med.Chem.Lett., 22, 2012
3VF8	Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416 分子名称: 3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea, Tyrosine-protein kinase SYK 著者 McLean, L.R, Zhang, Y. 登録日 2012-01-09 公開日 2012-05-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg.Med.Chem.Lett., 22, 2012
3V8W	Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 469 分子名称: 3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK 著者 McLean, L.R, Zhang, Y. 登録日 2011-12-23 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg.Med.Chem.Lett., 22, 2012
3V8T	Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477 分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK 著者 McLean, L.R, Zhang, Y. 登録日 2011-12-23 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg.Med.Chem.Lett., 22, 2012
3V5Q	Discovery of a selective TRK Inhibitor with efficacy in rodent cancer tumor models 分子名称: 1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea, CHLORIDE ION, NT-3 growth factor receptor 著者 Kreusch, A. 登録日 2011-12-16 公開日 2012-02-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2001 Å) 主引用文献 Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models. ACS Med Chem Lett, 3, 2012
3V5L	Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542 分子名称: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK 著者 McLean, L.R, Zhang, Y. 登録日 2011-12-16 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg.Med.Chem.Lett., 22, 2012
3V5J	Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090 分子名称: 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK 著者 McLean, L.R, Zhang, Y. 登録日 2011-12-16 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg.Med.Chem.Lett., 22, 2012
3UQG	c-SRC kinase domain in complex with bumpless BKI analog UW1243 分子名称: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src 著者 Merritt, E.A, Larson, E.T. 登録日 2011-11-20 公開日 2012-03-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
3UQF	c-SRC kinase domain in complex with BKI RM-1-89 分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src 著者 Merritt, E.A, Larson, E.T. 登録日 2011-11-20 公開日 2012-03-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
3ULZ	Crystal structure of apo BAK1 分子名称: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1 著者 Lou, Z.Y, Yan, L.M, Ma, Y.Y. 登録日 2011-11-11 公開日 2012-11-21 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural basis for BAK1 activation To be Published
3UIM	Structural basis for the impact of phosphorylation on plant receptor-like kinase BAK1 activation 分子名称: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Lou, Z.Y, Yan, L.M, Ma, Y.Y. 登録日 2011-11-05 公開日 2012-05-23 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural basis for the impact of phosphorylation on the activation of plant receptor-like kinase BAK1 Cell Res., 22, 2012
3UGC	Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594 分子名称: 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, MALONATE ION, Tyrosine-protein kinase JAK2 著者 Scheufler, C, Tavares, G.A, Manley, P.W, Pissot-Soldermann, C, Kroemer, M. 登録日 2011-11-02 公開日 2012-05-16 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Modulation of activation-loop phosphorylation by JAK inhibitors is binding mode dependent. Cancer Discov, 2, 2012
3UG2	Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with gefitinib 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, Gefitinib 著者 Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. 登録日 2011-11-02 公開日 2012-03-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor Oncogene, 32, 2013
3UG1	Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in the apo form 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor 著者 Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. 登録日 2011-11-02 公開日 2012-03-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor Oncogene, 32, 2013
3UE4	Structural and spectroscopic analysis of the kinase inhibitor bosutinib binding to the Abl tyrosine kinase domain 分子名称: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Tyrosine-protein kinase ABL1 著者 Boxer, S.G, Levinson, N.M. 登録日 2011-10-28 公開日 2012-04-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.424 Å) 主引用文献 Structural and spectroscopic analysis of the kinase inhibitor bosutinib and an isomer of bosutinib binding to the abl tyrosine kinase domain. Plos One, 7, 2012
3U6J	Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor 分子名称: N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide, Vascular endothelial growth factor receptor 2 著者 Whittington, D.A, Long, A, Rose, P, Gu, Y, Zhao, H. 登録日 2011-10-12 公開日 2012-02-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives. J.Med.Chem., 55, 2012
3U6I	Crystal structure of c-Met in complex with pyrazolone inhibitor 58a 分子名称: Hepatocyte growth factor receptor, N-{3-fluoro-4-[(7-methoxyquinolin-4-yl)oxy]phenyl}-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide 著者 Bellon, S.F, Whittington, D.A, Long, A.L. 登録日 2011-10-12 公開日 2012-02-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives. J.Med.Chem., 55, 2012
3U6H	Crystal structure of c-Met in complex with pyrazolone inhibitor 26 分子名称: Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide 著者 Bellon, S.F, Whittington, D.A, Long, A.L. 登録日 2011-10-12 公開日 2012-02-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives. J.Med.Chem., 55, 2012
3U51	Src in complex with DNA-templated macrocyclic inhibitor MC1 分子名称: Proto-oncogene tyrosine-protein kinase Src, macrocyclic inhibitor MC1 著者 Seeliger, M.A, Liu, D.R, Georghiou, G, Kleiner, R.E, Pulkoski-Gross, M. 登録日 2011-10-10 公開日 2012-02-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.241 Å) 主引用文献 Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles. Nat.Chem.Biol., 8, 2012
3U4W	Src in complex with DNA-templated macrocyclic inhibitor MC4b 分子名称: GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ... 著者 Seeliger, M.A, Liu, D.R, Georghiou, G, Kleiner, R.E, Pulkoski-Gross, M. 登録日 2011-10-10 公開日 2012-02-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Highly specific, bisubstrate-competitive Src inhibitors from DNA-templated macrocycles. Nat.Chem.Biol., 8, 2012
3TZ9	Kinase domain of cSrc in complex with RL130 分子名称: 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src 著者 Gruetter, C, Richters, A, Rauh, D. 登録日 2011-09-27 公開日 2012-10-10 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design To be Published

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