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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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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3O8T
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3OCG
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3OBG
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3QUE
 | | Human p38 MAP Kinase in Complex with Skepinone-L | | 分子名称: | 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Gruetter, C, Mayer-Wrangowski, S, Richters, A, Rauh, D. | | 登録日 | 2011-02-23 | | 公開日 | 2012-01-18 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor.
Nat.Chem.Biol., 8, 2012
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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
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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
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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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4EH5
 | | Human p38 MAP kinase in complex with NP-F4 and RL87 | | 分子名称: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, benzyl pyridine-3-carboxylate | | 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 Å) | | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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4EH2
 | | Human p38 MAP kinase in complex with NP-F1 and RL87 | | 分子名称: | 3-phenylquinazolin-4(3H)-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 Å) | | 主引用文献 | Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
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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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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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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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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
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4EH6
 | | Human p38 MAP kinase in complex with NP-F5 and RL87 | | 分子名称: | Mitogen-activated protein kinase 14, N-phenylpyridine-3-carboxamide, 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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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
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4H39
 | | Crystal Structure of JNK3 in Complex with JIP1 Peptide | | 分子名称: | C-Jun-amino-terminal kinase-interacting protein 1, 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 (1.992 Å) | | 主引用文献 | Structural Mechanisms of Allostery and Autoinhibition in JNK Family Kinases.
Structure, 20, 2012
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5TBE
 | | Human p38alpha MAP Kinase in Complex with Dibenzosuberone Compound 2 | | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide | | 著者 | Buehrmann, M, Rauh, D. | | 登録日 | 2016-09-12 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5TCO
 | | Human p38 MAP Kinase in Complex with Dibenzosuberone Compound 1 | | 分子名称: | 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Mayer-Wrangowski, S.C, Rauh, D. | | 登録日 | 2016-09-15 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017
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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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3PG3
 | | Human p38 MAP Kinase in Complex with RL182 | | 分子名称: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | 登録日 | 2010-10-29 | | 公開日 | 2011-11-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based design and synthesis of cell active N-pyrazole, N-thiazole urea inhibitors of the MAP kinase p38alpha
To be Published
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