4EH9
| Human p38 MAP kinase in complex with NP-F11 and RL87 | 分子名称: | (1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, 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 (2.1 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4EWQ
| Human p38 alpha MAPK in complex with a pyridazine based inhibitor | 分子名称: | 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, ... | 著者 | Grum-Tokars, V, Minasov, G, Roy, S, Schavocky, J, Winsor, J, Watterson, D.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2012-04-27 | 公開日 | 2012-06-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction. J.Med.Chem., 62, 2019
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4E6C
| p38a-perifosine Complex | 分子名称: | (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen 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 (2.39 Å) | 主引用文献 | Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch. J.Mol.Biol., 424, 2012
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4E8A
| The crystal structure of p38a MAP kinase in complex with PIA24 | 分子名称: | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen (S)-phosphate, Mitogen-activated protein kinase 14 | 著者 | Livnah, O, Tzarum, N, Eisenberg-Domovich, Y. | 登録日 | 2012-03-20 | 公開日 | 2012-10-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch. J.Mol.Biol., 424, 2012
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4E5A
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4EHV
| Human p38 MAP kinase in complex with NP-F10 and RL87 | 分子名称: | (1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | 著者 | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | 登録日 | 2012-04-04 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4EH4
| Human p38 MAP kinase in complex with NP-F3 and RL87 | 分子名称: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, phenyl(piperidin-1-yl)methanone | 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 (2.5 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4EH8
| Human p38 MAP kinase in complex with NP-F7 and RL87 | 分子名称: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, [3-(benzyloxy)phenyl]methanol | 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 (2.2 Å) | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4F9Y
| Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor | 分子名称: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | 登録日 | 2012-05-21 | 公開日 | 2013-06-05 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
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4F9W
| Human P38alpha MAPK in Complex with a Novel and Selective Small Molecule Inhibitor | 分子名称: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | 著者 | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | 登録日 | 2012-05-21 | 公開日 | 2013-06-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
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4FA2
| Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063 | 分子名称: | 1,2-ETHANEDIOL, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, ... | 著者 | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | 登録日 | 2012-05-21 | 公開日 | 2013-06-05 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction. Plos One, 8, 2013
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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
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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
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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
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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
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3O8T
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3OCG
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3OBG
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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
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3OEF
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3OBJ
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3ODY
| Crystal structure of p38alpha Y323Q 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 (2.2 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
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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
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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
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3P79
| P38 inhibitor-bound | 分子名称: | 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-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 (2.1 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
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