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3GC9
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BU of 3gc9 by Molmil
The structure of p38beta C119S, C162S in complex with a dihydroquinazolinone inhibitor
分子名称: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one, Mitogen-activated protein kinase 11, SODIUM ION, ...
著者Scapin, G, Patel, S.B.
登録日2009-02-21
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The three-dimensional structure of MAP kinase p38beta: different features of the ATP-binding site in p38beta compared with p38alpha.
Acta Crystallogr.,Sect.D, 65, 2009
3GC8
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BU of 3gc8 by Molmil
The structure of p38beta C162S in complex with a dihydroquinazolinone
分子名称: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one, Mitogen-activated protein kinase 11, NICKEL (II) ION, ...
著者Scapin, G, Patel, S.B.
登録日2009-02-21
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The three-dimensional structure of MAP kinase p38beta: different features of the ATP-binding site in p38beta compared with p38alpha.
Acta Crystallogr.,Sect.D, 65, 2009
3GC7
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BU of 3gc7 by Molmil
The structure of p38alpha in complex with a dihydroquinazolinone
分子名称: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one, Mitogen-activated protein kinase 14
著者Scapin, G, Patel, S.B.
登録日2009-02-21
公開日2009-07-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The three-dimensional structure of MAP kinase p38beta: different features of the ATP-binding site in p38beta compared with p38alpha.
Acta Crystallogr.,Sect.D, 65, 2009
3G9N
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BU of 3g9n by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
分子名称: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
著者Jacobs, M.D.
登録日2009-02-13
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3G9L
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BU of 3g9l by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin-2-one
分子名称: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
著者Jacobs, M.D.
登録日2009-02-13
公開日2009-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3G90
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BU of 3g90 by Molmil
JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)indolin-2-one
分子名称: (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
著者Xie, X, Jacobs, M.D.
登録日2009-02-12
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FYK
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BU of 3fyk by Molmil
Crystal structure of a benzthiophene lead bound to MAPKAP Kinase-2 (MK-2)
分子名称: (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one, MAP kinase-activated protein kinase 2
著者Kurumbail, R.G, Caspers, N.
登録日2009-01-22
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.
Bioorg.Med.Chem.Lett., 19, 2009
3FYJ
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BU of 3fyj by Molmil
Crystal structure of an optimzied benzothiophene inhibitor bound to MAPKAP Kinase-2 (MK-2)
分子名称: (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, MAP kinase-activated protein kinase 2
著者Kurumbail, R.G, Caspers, N.
登録日2009-01-22
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.
Bioorg.Med.Chem.Lett., 19, 2009
3FXW
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BU of 3fxw by Molmil
High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex
分子名称: 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3
著者Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T.
登録日2009-01-21
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex
To be Published
3FV8
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BU of 3fv8 by Molmil
JNK3 bound to piperazine amide inhibitor, SR2774.
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, Mitogen-activated protein kinase 10
著者Habel, J.E.
登録日2009-01-15
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FSK
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BU of 3fsk by Molmil
P38 kinase crystal structure in complex with RO6257
分子名称: 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Bertrand, J, Takahara, P, Villasenor, A.
登録日2009-01-09
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FSF
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BU of 3fsf by Molmil
P38 kinase crystal structure in complex with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
分子名称: 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Bertrand, J, Lovejoy, B.
登録日2009-01-09
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FPM
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BU of 3fpm by Molmil
Crystal Structure of a Squarate Inhibitor bound to MAPKAP Kinase-2
分子名称: 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione, MAP kinase-activated protein kinase 2
著者Parris, K.D.
登録日2009-01-05
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)
Bioorg.Med.Chem., 17, 2009
3FMN
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BU of 3fmn by Molmil
P38 kinase crystal structure in complex with RO2530
分子名称: 6-(2,4-difluorophenoxy)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-22
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献P38 kinase crystal structure in complex with RO2530
To be Published
3FMM
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BU of 3fmm by Molmil
P38 kinase crystal structure in complex with RO6226
分子名称: 6-(2,4-difluorophenoxy)-N-[(1R)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-22
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献P38 kinase crystal structure in complex with RO6226
To be Published
3FML
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BU of 3fml by Molmil
P38 kinase crystal structure in complex with RO6224
分子名称: 6-(2,4-difluorophenoxy)-N-[(1S)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-22
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献P38 kinase crystal structure in complex with RO6224
To be Published
3FMK
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BU of 3fmk by Molmil
P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((S)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-22
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FMJ
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BU of 3fmj by Molmil
P38 kinase crystal structure in complex with 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-pyrimidin-2-ylamine
分子名称: 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-22
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FMH
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BU of 3fmh by Molmil
P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((R)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-22
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FLZ
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BU of 3flz by Molmil
P38 kinase crystal structure in complex WITH 8-Methyl-6-phenoxy-2-(tetrahydro-pyran-4-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称: 8-methyl-6-phenoxy-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-19
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FLY
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BU of 3fly by Molmil
P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-isopropylamino-8-methyl-8h-pyrido[2,3-d]pyrimidin-7-one
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-19
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FLW
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BU of 3flw by Molmil
P38 kinase crystal structure in complex with pamapimod
分子名称: 6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-19
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FLS
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BU of 3fls by Molmil
P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-2-((R)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-19
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FLQ
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BU of 3flq by Molmil
P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-((s)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8h-pyrido[2,3-d]pyrimidin
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Knapp, M.
登録日2008-12-19
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FLN
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BU of 3fln by Molmil
P38 kinase crystal structure in complex with R1487
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Knapp, M.
登録日2008-12-19
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published

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