3U8W
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![BU of 3u8w by Molmil](/molmil-images/mine/3u8w) | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor | 分子名称: | 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | 著者 | Mohr, C, Jordan, S. | 登録日 | 2011-10-17 | 公開日 | 2012-08-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Identification of triazolopyridazinones as potent p38alpha inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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3HV4
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![BU of 3hv4 by Molmil](/molmil-images/mine/3hv4) | Human p38 MAP Kinase in Complex with RL51 | 分子名称: | 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]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 (2.6 Å) | 主引用文献 | Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
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3HL7
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![BU of 3hl7 by Molmil](/molmil-images/mine/3hl7) | Crystal Structure of Human p38alpha complexed with SD-0006 | 分子名称: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol, Mitogen-activated protein kinase 14 | 著者 | Shieh, H.-S, Kurumbail, R.G, Stegeman, R.A, Williams, J.M. | 登録日 | 2009-05-26 | 公開日 | 2009-07-14 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804. Biochemistry, 48, 2009
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3HLL
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![BU of 3hll by Molmil](/molmil-images/mine/3hll) | Crystal Structure of Human p38alpha complexed with PH-797804 | 分子名称: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide, HYPOPHOSPHITE, ... | 著者 | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | 登録日 | 2009-05-27 | 公開日 | 2009-07-14 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural bioinformatics-based prediction of exceptional selectivity of p38 MAP kinase inhibitor PH-797804. Biochemistry, 48, 2009
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3HUB
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![BU of 3hub by Molmil](/molmil-images/mine/3hub) | Human p38 MAP Kinase in Complex with Scios-469 | 分子名称: | 2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Gruetter, C, Simard, J.R, 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 (2.25 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
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5OMG
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![BU of 5omg by Molmil](/molmil-images/mine/5omg) | p38alpha in complex with pyrazolobenzothiazine inhibitor COXP4M12 | 分子名称: | 3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Buehrmann, M, Rauh, D. | 登録日 | 2017-07-31 | 公開日 | 2019-03-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors. Biochem.Biophys.Res.Commun., 511, 2019
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7YL1
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5OMH
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![BU of 5omh by Molmil](/molmil-images/mine/5omh) | p38alpha in complex with pyrazolobenzothiazine inhibitor COXH11 | 分子名称: | 1-(3-chlorophenyl)-3-methyl-4~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide, Mitogen-activated protein kinase 14 | 著者 | Buehrmann, M, Rauh, D. | 登録日 | 2017-07-31 | 公開日 | 2019-03-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Co-crystal structure determination and cellular evaluation of 1,4-dihydropyrazolo[4,3-c] [1,2] benzothiazine 5,5-dioxide p38 alpha MAPK inhibitors. Biochem.Biophys.Res.Commun., 511, 2019
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3HVC
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![BU of 3hvc by Molmil](/molmil-images/mine/3hvc) | Crystal structure of human p38alpha MAP kinase | 分子名称: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14 | 著者 | Perry, J.J, Tainer, J.A. | 登録日 | 2009-06-15 | 公開日 | 2009-06-30 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses. J.Mol.Biol., 391, 2009
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3HP2
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![BU of 3hp2 by Molmil](/molmil-images/mine/3hp2) | Crystal Structure of Human p38alpha complexed with a pyridinone compound | 分子名称: | 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 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 (2.15 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
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3HV5
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![BU of 3hv5 by Molmil](/molmil-images/mine/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
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3HRB
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![BU of 3hrb by Molmil](/molmil-images/mine/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
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3HP5
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![BU of 3hp5 by Molmil](/molmil-images/mine/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
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3HV6
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![BU of 3hv6 by Molmil](/molmil-images/mine/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
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3HV3
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![BU of 3hv3 by Molmil](/molmil-images/mine/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
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3HUC
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![BU of 3huc by Molmil](/molmil-images/mine/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
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3HV7
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![BU of 3hv7 by Molmil](/molmil-images/mine/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
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3IW6
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![BU of 3iw6 by Molmil](/molmil-images/mine/3iw6) | Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol | 分子名称: | Mitogen-activated protein kinase 14, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, octyl beta-D-glucopyranoside | 著者 | Gruetter, C, Simard, J.R, Rauh, D. | 登録日 | 2009-09-02 | 公開日 | 2009-11-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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7Z6I
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![BU of 7z6i by Molmil](/molmil-images/mine/7z6i) | Crystal structure of p38alpha C162S in complex with SB20358 and CAS 2094667-81-7 (behind catalytic site; Y35 in), P 21 21 21 | 分子名称: | 4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | 著者 | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | 登録日 | 2022-03-11 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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7Z9T
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![BU of 7z9t by Molmil](/molmil-images/mine/7z9t) | Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | 著者 | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | 登録日 | 2022-03-21 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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3IW5
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![BU of 3iw5 by Molmil](/molmil-images/mine/3iw5) | Human p38 MAP Kinase in Complex with an Indole Derivative | 分子名称: | Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside | 著者 | Gruetter, C, Simard, J.R, Rauh, D. | 登録日 | 2009-09-02 | 公開日 | 2009-11-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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3ITZ
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![BU of 3itz by Molmil](/molmil-images/mine/3itz) | |
3IW8
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![BU of 3iw8 by Molmil](/molmil-images/mine/3iw8) | Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea | 分子名称: | 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Gruetter, C, Simard, J.R, Rauh, D. | 登録日 | 2009-09-02 | 公開日 | 2009-11-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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8A8M
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![BU of 8a8m by Molmil](/molmil-images/mine/8a8m) | Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6 | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | 著者 | Bowler, M.W, Juyoux, P, Pellegrini, E. | 登録日 | 2022-06-23 | 公開日 | 2022-07-13 | 最終更新日 | 2023-09-27 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation. Science, 381, 2023
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3IPH
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![BU of 3iph by Molmil](/molmil-images/mine/3iph) | Crystal structure of p38 in complex with a biphenylamide inhibitor | 分子名称: | 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ... | 著者 | Somers, D.O. | 登録日 | 2009-08-17 | 公開日 | 2009-11-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression. J.Med.Chem., 52, 2009
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