PDB: 4939 件ウェブページステータス検索Chemie searchBIRD

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4GT3	ATP-bound form of the ERK2 kinase 分子名称: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Pozharski, E, Zhang, J, Shapiro, P. 登録日 2012-08-28 公開日 2012-09-12 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 ATP-bound form of the ERK2 kinase TO BE PUBLISHED
3NAY	PDK1 in complex with inhibitor MP6 分子名称: 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one 著者 Yan, Y, Munshi, S.K, Allison, T. 登録日 2010-06-02 公開日 2010-11-24 最終更新日 2018-01-24 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines J.Biol.Chem., 2010
4I6B	Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain 分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2 著者 Pan, H. 登録日 2012-11-29 公開日 2013-11-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain. Chemmedchem, 8, 2013
4I6F	Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain 分子名称: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenyl-1H-imidazol-1-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2 著者 Pan, H. 登録日 2012-11-29 公開日 2013-11-20 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain. Chemmedchem, 8, 2013
4IB1	Structure of cAMP dependent protein kinase A in complex with high K+ concentration, ADP and phosphorylated peptide pSP20 分子名称: ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... 著者 Gerlits, O, Kovalevsky, A. 登録日 2012-12-07 公開日 2013-12-11 最終更新日 2014-05-28 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer. Biochemistry, 53, 2014
3O8P	Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding 分子名称: 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, ... 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-08-03 公開日 2010-09-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
3O51	Crystal structure of anthranilamide 10 bound to AuroraA 分子名称: N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide, cDNA FLJ58295, highly similar to Serine/threonine-protein kinase 6 著者 Huang, X. 登録日 2010-07-27 公開日 2010-08-18 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor. J.Med.Chem., 53, 2010
4IAD	Low temperature X-ray Structure OF cAMP dependent protein kinase A in complex with high Mg2+ concentration, ADP and phosphorylated peptide pSP20 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphorylated peptide pSP20, ... 著者 Gerlits, O, Kovalevsky, A. 登録日 2012-12-06 公開日 2013-06-12 最終更新日 2016-09-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20. Biochemistry, 52, 2013
4HYH	X-RAY Crystal structure of compound 39 bound to human chk1 kinase domain 分子名称: 2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase Chk1 著者 Fischmann, T.O. 登録日 2012-11-13 公開日 2013-03-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
3O7L	Crystal Structure of phospholamban (1-19):PKA C-subunit:AMP-PNP:Mg2+ complex 分子名称: Cardiac phospholamban, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... 著者 Cheng, C.Y, Taylor, S.S. 登録日 2010-07-30 公開日 2010-10-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Dynamics connect substrate recognition to catalysis in protein kinase A. Nat.Chem.Biol., 6, 2010
3O8T	Conformational plasticity of p38 MAP kinase DFG-motif mutants in response to inhibitor binding 分子名称: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-08-03 公開日 2010-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
3OC1	Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding 分子名称: 1,2-ETHANEDIOL, 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-08-09 公開日 2010-08-25 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
3OCG	P38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitor 分子名称: 5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 著者 Sack, J.S. 登録日 2010-08-10 公開日 2010-11-17 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 5-Amino-pyrazoles as potent and selective p38α inhibitors Bioorg.Med.Chem.Lett., 20, 2010
3NPC	Crystal structure of JNK2 complexed with BIRB796 分子名称: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 9 著者 Kuglstatter, A, Ghate, M. 登録日 2010-06-28 公開日 2010-08-11 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 X-ray crystal structure of JNK2 complexed with the p38alpha inhibitor BIRB796: Insights into the rational design of DFG-out binding MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
3P7B	p38 inhibitor-bound 分子名称: 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Moffett, K.K, Namboodiri, H. 登録日 2010-10-12 公開日 2011-10-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
3P7A	p38 inhibitor-bound 分子名称: 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Moffett, K.K, Namboodiri, H. 登録日 2010-10-12 公開日 2011-10-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
4IX5	Crystal structure of a Stt7 homolog from Micromonas algae in complex with AMP-PNP 分子名称: MAGNESIUM ION, MsStt7d protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Guo, J, Wei, X, Li, M, Pan, X, Chang, W, Liu, Z. 登録日 2013-01-24 公開日 2013-10-02 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure of the catalytic domain of a state transition kinase homolog from Micromonas algae Protein Cell, 4, 2013
3OOG	human cAMP-dependent protein kinase in complex with a small fragment 分子名称: 1-(4-hydroxy-3-methylphenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha 著者 Koester, H, Heine, A, Klebe, G. 登録日 2010-08-31 公開日 2011-08-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Fragment based drug design on human PKA To be Published
4IX6	Crystal structure of a Stt7 homolog from Micromonas algae soaked with ATP 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MsStt7d protein 著者 Guo, J, Wei, X, Li, M, Pan, X, Chang, W, Liu, Z. 登録日 2013-01-24 公開日 2013-10-02 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure of the catalytic domain of a state transition kinase homolog from Micromonas algae Protein Cell, 4, 2013
3NUS	phosphoinositide-dependent kinase-1 (PDK1) with fragment8 分子名称: 1H-indazol-3-amine, GLYCEROL, SULFATE ION, ... 著者 Campobasso, N, Ward, P. 登録日 2010-07-07 公開日 2011-05-25 最終更新日 2018-10-10 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery. ACS Med Chem Lett, 1, 2010
4IB0	X-ray Structure of cAMP dependent protein kinase A in complex with high Na+ concentration, ADP and phosphorylated peptide pSP20 分子名称: ADENOSINE-5'-DIPHOSPHATE, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... 著者 Gerlits, O, Kovalevsky, A. 登録日 2012-12-07 公開日 2013-12-11 最終更新日 2014-05-28 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer. Biochemistry, 53, 2014
3NS9	Crystal structure of CDK2 in complex with inhibitor BS-194 分子名称: (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol, Cell division protein kinase 2 著者 Hazel, P, Freemont, P.S. 登録日 2010-07-01 公開日 2010-12-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 A Novel Pyrazolo[1,5-a]pyrimidine Is a Potent Inhibitor of Cyclin-Dependent Protein Kinases 1, 2, and 9, Which Demonstrates Antitumor Effects in Human Tumor Xenografts Following Oral Administration. J.Med.Chem., 53, 2010
4IAZ	Structure of cAMP dependent protein kinase A in complex with high Ba2+ concentration, ADP and phosphorylated peptide pSP20 分子名称: ADENOSINE-5'-DIPHOSPHATE, BARIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... 著者 Gerlits, O, Kovalevsky, A. 登録日 2012-12-07 公開日 2013-06-12 最終更新日 2013-12-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20. Biochemistry, 52, 2013
4IDT	Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28) 分子名称: 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine, Mitogen-activated protein kinase kinase kinase 14 著者 Liu, J, Sudom, A, Wang, Z. 登録日 2012-12-13 公開日 2013-04-17 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures Bioorg.Med.Chem.Lett., 23, 2013
3OBG	Conformational plasticity of p38 MAP kinase DFG mutants in response to inhibitor binding 分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-08-06 公開日 2010-08-25 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published

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