3NEW
 
 | | p38-alpha complexed with Compound 10 | | 分子名称: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14 | | 著者 | Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D. | | 登録日 | 2010-06-09 | | 公開日 | 2010-12-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
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3NNU
 | | Crystal structure of P38 alpha in complex with DP1376 | | 分子名称: | 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14 | | 著者 | Abendroth, J. | | 登録日 | 2010-06-24 | | 公開日 | 2010-09-15 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
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3NWW
 | | P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor | | 分子名称: | 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14 | | 著者 | Sack, J.S. | | 登録日 | 2010-07-12 | | 公開日 | 2010-09-08 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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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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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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3MH0
 | | Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | | 分子名称: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | | 登録日 | 2010-04-07 | | 公開日 | 2010-04-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state.
Biochemistry, 46, 2007
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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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3P4K
 | | The third conformation of p38a MAP kinase observed in phosphorylated p38a and in solution | | 分子名称: | MAP kinase 14, Mitogen-activated protein kinase 14 | | 著者 | Akella, R, Min, X, Wu, Q, Gardner, K.H, Goldsmith, E.J. | | 登録日 | 2010-10-06 | | 公開日 | 2011-01-05 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.304 Å) | | 主引用文献 | The third conformation of p38a MAP kinase observed in phosphorylated p38a and in solution
Structure, 18, 2010
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3P7C
 | | p38 inhibitor-bound | | 分子名称: | 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea, 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 (2.3 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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3P78
 | | P38 inhibitor-bound | | 分子名称: | 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-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 (2.3 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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3P5K
 | | P38 inhibitor-bound | | 分子名称: | 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Namboodiri, H. | | 登録日 | 2010-10-08 | | 公開日 | 2011-11-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.09 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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