PDB: 46006 件ウェブページステータス検索Chemie searchBIRD

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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
3HP5	Crystal Structure of Human p38alpha complexed with a pyrimidopyridazinone compound 分子名称: 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, Mitogen-activated protein kinase 14 著者 Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. 登録日 2009-06-03 公開日 2009-09-29 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase. Bioorg.Med.Chem.Lett., 19, 2009
3HRB	p38 kinase Crystal structure in complex with small molecule inhibitor 分子名称: Mitogen-activated protein kinase 14, [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone 著者 Segarra, V, Lumeras, W, Vidal, B, Leonard, P, Fisher, M, Lamers, M. 登録日 2009-06-09 公開日 2009-09-01 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase J.Med.Chem., 52, 2009
3HV6	Human p38 MAP Kinase in Complex with RL39 分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. 登録日 2009-06-15 公開日 2009-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
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
3HV3	Human p38 MAP Kinase in Complex with RL49 分子名称: 1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, GLYCEROL, Mitogen-activated protein kinase 14, ... 著者 Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. 登録日 2009-06-15 公開日 2009-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
6R3A	BACTERIOPHAGE SPP1 MATURE CAPSID PROTEIN 分子名称: Major capsid protein 著者 Ignatiou, A, El Sadek Fadel, M, Buerger, J, Mielke, T, Topf, M, Tavares, P. 登録日 2019-03-19 公開日 2019-10-23 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (4 Å) 主引用文献 Structural transitions during the scaffolding-driven assembly of a viral capsid. Nat Commun, 10, 2019
3HUC	Human p38 MAP Kinase in Complex with RL40 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, ... 著者 Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. 登録日 2009-06-13 公開日 2010-03-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations. J.Am.Chem.Soc., 132, 2010
3HV7	Human p38 MAP Kinase in Complex with RL38 分子名称: 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. 登録日 2009-06-15 公開日 2009-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
1HG4	Ultraspiracle ligand binding domain from Drosophila melanogaster 分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ULTRASPIRACLE 著者 Schwabe, J.W.R, Clayton, G.M. 登録日 2000-12-12 公開日 2001-02-23 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The Structure of the Ultraspiracle Ligand-Binding Domain Reveals a Nuclear Receptor Locked in an Inactive Conformation Proc.Natl.Acad.Sci.USA, 98, 2001
3ODZ	Crystal structure of P38alpha Y323R active mutant 分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Livnah, O, Tzarum, N. 登録日 2010-08-12 公開日 2011-01-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation. J.Mol.Biol., 405, 2011
3FSF	P38 kinase crystal structure in complex with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one 分子名称: 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Bertrand, J, Lovejoy, B. 登録日 2009-01-09 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase To be Published
3OEF	Crystal structure of Y323F inactive mutant of p38alpha MAP kinase 分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Livnah, O, Tzarum, N. 登録日 2010-08-12 公開日 2011-01-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation. J.Mol.Biol., 405, 2011
3FSK	P38 kinase crystal structure in complex with RO6257 分子名称: 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14 著者 Kuglstatter, A, Bertrand, J, Takahara, P, Villasenor, A. 登録日 2009-01-09 公開日 2009-12-22 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
3OBJ	Conformational plasticity of p38 MAP kinase DFG 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 2010-08-06 公開日 2010-08-25 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
4TT6	Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form 分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ... 著者 Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. 登録日 2014-06-19 公開日 2014-12-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
4TTE	Crystal structure of ATAD2A bromodomain complexed with methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate 分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ... 著者 Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. 登録日 2014-06-20 公開日 2014-12-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
1LAW	STABILIZATION OF ESCHERICHIA COLI RIBONUCLEASE HI BY CAVITY-FILLING MUTATIONS WITHIN A HYDROPHOBIC CORE 分子名称: RIBONUCLEASE H 著者 Ishikawa, K, Nakamura, H, Morikawa, K, Kanaya, S. 登録日 1993-05-10 公開日 1993-10-31 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Stabilization of Escherichia coli ribonuclease HI by cavity-filling mutations within a hydrophobic core. Biochemistry, 32, 1993
8BM7	Hairpin adopted by oligonucleotide A38 found in the promoter of AUTS2 gene. 分子名称: A38 著者 Novotny, A. 登録日 2022-11-10 公開日 2023-02-22 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 Structural polymorphism driven by a register shift in a CGAG-rich region found in the promoter of the neurodevelopmental regulator AUTS2 gene. Nucleic Acids Res., 51, 2023
3HV5	Human p38 MAP Kinase in Complex with RL24 分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... 著者 Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. 登録日 2009-06-15 公開日 2009-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
3TG1	Crystal structure of p38alpha in complex with a MAPK docking partner 分子名称: Dual specificity protein phosphatase 10, Mitogen-activated protein kinase 14 著者 Zhang, Y.Y, Wu, J.W, Wang, Z.X. 登録日 2011-08-17 公開日 2012-03-14 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 A Distinct Interaction Mode Revealed by the Crystal Structure of the Kinase p38alpha with the MAPK Binding Domain of the Phosphatase MKP5. Sci.Signal., 4, 2011
6SLG	HUMAN ERK2 WITH ERK1/2 INHIBITOR, AZD0364. 分子名称: (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one, 1,2-ETHANEDIOL, ERK-tide, ... 著者 Breed, J, Phillips, C. 登録日 2019-08-19 公開日 2019-11-20 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC). J.Med.Chem., 62, 2019
4K6I	Crystal structure of human retinoid X receptor alpha-ligand binding domain complex with Targretin and the coactivator peptide GRIP-1 分子名称: 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha 著者 Xia, G, Smith, C.D, Muccio, D.D. 登録日 2013-04-15 公開日 2013-11-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Defining the Communication between Agonist and Coactivator Binding in the Retinoid X Receptor alpha Ligand Binding Domain. J.Biol.Chem., 289, 2014
4RQ9	Crystal structure of the chromophore-binding domain of Stigmatella aurantiaca bacteriophytochrome (Thr289His mutant) in the Pr state 分子名称: 1,2-ETHANEDIOL, BILIVERDINE IX ALPHA, GLYCEROL, ... 著者 Woitowich, N.C, Halavaty, A.S, Gallagher, K.D, Nugent, A.C, Patel, H, Duong, P, Kovaleva, S.E, St.Peter, S, Ozarowski, W.B, Hernandez, C.N, Stojkovic, E.A. 登録日 2014-10-31 公開日 2016-05-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of the chromophore-binding domain of Stigmatella aurantiaca bacteriophytochrome (Thr289His mutant) in the Pr state To be Published
4TS8	Crystal structure of the bromodomain of human CREBBP in complex with XZ08 分子名称: 1,2-ETHANEDIOL, 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, CREB-binding protein 著者 Dong, J, Gartenmann, L, Spiliotopoulos, D, Caflisch, A. 登録日 2014-06-18 公開日 2015-07-01 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of the bromodomain of human CREBBP in complex with XZ08 To Be Published

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