PDB: 957 件ウェブページステータス検索Chemie searchBIRD

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7KSK	Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors 分子名称: 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10 著者 Park, H. 登録日 2020-11-23 公開日 2021-03-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors. Acs Med.Chem.Lett., 12, 2021
7KSJ	Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors 分子名称: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10 著者 Park, H. 登録日 2020-11-23 公開日 2021-03-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors. Acs Med.Chem.Lett., 12, 2021
7KSI	Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors 分子名称: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10 著者 Park, H. 登録日 2020-11-23 公開日 2021-03-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.726 Å) 主引用文献 Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors. Acs Med.Chem.Lett., 12, 2021
8WGF	The Crystal Structure of JNK3 from Biortus. 分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. 登録日 2023-09-21 公開日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 The Crystal Structure of JNK3 from Biortus. To Be Published
4XJK	Crystal structure of Mn(II) Ca(II) Na(I) bound calprotectin 分子名称: CALCIUM ION, MANGANESE (II) ION, Protein S100-A8, ... 著者 Drennan, C.L, Bowman, S.E.J. 登録日 2015-01-08 公開日 2015-04-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Manganese Binding Properties of Human Calprotectin under Conditions of High and Low Calcium: X-ray Crystallographic and Advanced Electron Paramagnetic Resonance Spectroscopic Analysis. J.Am.Chem.Soc., 137, 2015
4Y46	Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors 分子名称: 1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea, Mitogen-activated protein kinase 10 著者 Park, H. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors. Acs Med.Chem.Lett., 6, 2015
4Y5H	Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors 分子名称: 1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea, Mitogen-activated protein kinase 10 著者 Park, H. 登録日 2015-02-11 公開日 2015-05-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.055 Å) 主引用文献 Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors. Acs Med.Chem.Lett., 6, 2015
3PY3	Crystal structure of phosphorylated p38alpha MAP kinase 分子名称: Mitogen-activated protein kinase 14 著者 Zhang, Y.Y, Wu, J.W, Wang, Z.X. 登録日 2010-12-11 公開日 2011-03-16 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mitogen-activated Protein Kinase (MAPK) Phosphatase 3-mediated Cross-talk between MAPKs ERK2 and p38{alpha}. J.Biol.Chem., 286, 2011
6OHD	P38 in complex with T-3220137 分子名称: 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14 著者 Lane, W, Saikatendu, K. 登録日 2019-04-05 公開日 2019-11-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2. Chemmedchem, 14, 2019
4GEO	P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) 分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Livnah, O, Tzarum, N. 登録日 2012-08-02 公開日 2013-05-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) To be Published
4GGF	Crystal structure of Mn2+ bound calprotectin 分子名称: CALCIUM ION, GLYCEROL, MANGANESE (II) ION, ... 著者 Damo, S.M, Fritz, G. 登録日 2012-08-06 公開日 2013-02-20 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Molecular basis for manganese sequestration by calprotectin and roles in the innate immune response to invading bacterial pathogens. Proc.Natl.Acad.Sci.USA, 110, 2013
3ROC	Crystal structure of human p38 alpha complexed with a pyrimidinone compound 分子名称: 3-{5-chloro-4-[(2,4-difluorobenzyl)oxy]-6-oxopyrimidin-1(6H)-yl}-N-(2-hydroxyethyl)-4-methylbenzamide, 4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 著者 Shieh, H.-S, Xing, L. 登録日 2011-04-25 公開日 2011-06-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Substituted N-aryl-6-pyrimidinones: A new class of potent, selective, and orally active p38 MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
3RIN	p38 kinase crystal structure in complex with small molecule inhibitor 分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide 著者 Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M. 登録日 2011-04-14 公開日 2012-02-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode. Bioorg.Med.Chem.Lett., 21, 2011
3QUD	Human p38 MAP Kinase in Complex with 2-amino-phenylamino-benzophenone 分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone 著者 Gruetter, C, Rauh, D. 登録日 2011-02-23 公開日 2012-04-11 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Resolving the selectivity problem for p38 mitogen activated protein (MAP) Kinase-inhibitors: Development of new highly potent inhibitors of p38 MAP kinase with an outstanding selectivity profile To be Published
3RTP	Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration 分子名称: Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide 著者 Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. 登録日 2011-05-03 公開日 2013-05-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
3S4Q	P38 alpha kinase complexed with a pyrazolo-triazine based inhibitor 分子名称: 3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 著者 Sack, J.S. 登録日 2011-05-20 公開日 2012-02-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
4R3C	Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate 分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ... 著者 Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. 登録日 2014-08-14 公開日 2015-02-25 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models. ACS Chem Neurosci, 6, 2015
3S3I	p38 kinase crystal structure in complex with small molecule inhibitor 分子名称: 3-(3-tert-butyl[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 著者 Segarra, V, Aiguade, J, Roca, R, Fisher, M, Lamers, M. 登録日 2011-05-18 公開日 2012-04-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Novel triazolopyridylbenzamides as potent and selective p38 alpha inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
4E6A	p38a-PIA23 complex 分子名称: (2S)-2-methoxy-3-(octadecyloxy)propyl (1R,2R,3R,4S,6S)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (S)-phosphate, Mitogen-activated protein kinase 14 著者 Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. 登録日 2012-03-15 公開日 2012-10-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch. J.Mol.Biol., 424, 2012
4RH5	Crystal structure of PTPN3 (PTPH1) in complex with Eps15 pTyr849 peptide 分子名称: Epidermal growth factor receptor substrate 15, Tyrosine-protein phosphatase non-receptor type 3 著者 Chen, K.-E, Meng, T.C, Wang, A.H.-J. 登録日 2014-10-01 公開日 2015-03-11 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Substrate specificity and plasticity of FERM-containing protein tyrosine phosphatases. Structure, 23, 2015
4RH9	Crystal structure of PTPN3 (PTPH1) H812F, M883G mutant in complex with Eps15 pTyr849 peptide 分子名称: Epidermal growth factor receptor substrate 15, Tyrosine-protein phosphatase non-receptor type 3 著者 Chen, K.-E, Meng, T.C, Wang, A.H.-J. 登録日 2014-10-01 公開日 2015-03-11 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.598 Å) 主引用文献 Substrate specificity and plasticity of FERM-containing protein tyrosine phosphatases. Structure, 23, 2015
4H3B	Crystal Structure of JNK3 in Complex with SAB Peptide 分子名称: Mitogen-activated protein kinase 10, SH3 domain-binding protein 5 著者 Nwachukwu, J.C, Laughlin, J.D, Figuera-Losada, M, Cherry, L, Nettles, K.W, LoGrasso, P.V. 登録日 2012-09-13 公開日 2012-11-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structural Mechanisms of Allostery and Autoinhibition in JNK Family Kinases. Structure, 20, 2012
4E5B	Structure of p38a MAP kinase without BOG 分子名称: Mitogen-activated protein kinase 14 著者 Livnah, O, Eisenberg-Domovich, Y, Tzarum, N. 登録日 2012-03-14 公開日 2012-10-31 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch. J.Mol.Biol., 424, 2012
4EH3	Human p38 MAP kinase in complex with NP-F2 and RL87 分子名称: Mitogen-activated protein kinase 14, NARINGENIN, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine 著者 Over, B, Gruetter, C, Waldmann, H, Rauh, D. 登録日 2012-04-02 公開日 2012-12-05 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
4H36	Crystal Structure of JNK3 in Complex with ATF2 Peptide 分子名称: Cyclic AMP-dependent transcription factor ATF-2, Mitogen-activated protein kinase 10 著者 Nwachukwu, J.C, Laughlin, J.D, Figuera-Losada, M, Cherry, L, Nettles, K.W, LoGrasso, P.V. 登録日 2012-09-13 公開日 2012-11-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural Mechanisms of Allostery and Autoinhibition in JNK Family Kinases. Structure, 20, 2012

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