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1VYW
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STRUCTURE OF CDK2/CYCLIN A WITH PNU-292137
分子名称:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, SULFATE ION, ...
著者Pevarello, P., Brasca, M.G., Amici, R., Orsini, P., Traquandi, G., Corti, L., Piutti, C., Sansonna, P., Villa, M., Pierce, B.S., Pulici, M., Giordano, P., Martina, K., Fritzen, E.L., Nugent, R.A., Casale, E., Cameron, A., Ciomei, M., Roletto, F., Isacchi, A., Fogliatto, G., Pesenti, E., Pastori, W., Marsiglio, A., Leach, K.L., Clare, P.M., Fiorentini, F., Varasi, M., Vulpetti, A., Warpehoski, M.A.
登録日2004-05-07
公開日2004-06-10
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. Part 1. Lead Finding
J.Med.Chem., 47, 2004
1VYZ
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STRUCTURE OF CDK2 COMPLEXED WITH PNU-181227
分子名称:CELL DIVISION PROTEIN KINASE 2, N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE
著者Pevarello, P., Brasca, M.G., Amici, R., Orsini, P., Traquandi, G., Corti, L., Piutti, C., Sansonna, P., Villa, M., Pierce, B.S., Pulici, M., Giordano, G., Martina, K., Lfritzen, E., Nugent, R.A., Casale, E., Cameron, A., Ciomei, M., Roletto, F., Isacchi, A., Fogliatto, G., Pesenti, E., Pastori, W., Marsiglio, W., Leach, K.L., Clare, P.M., Fiorentini, F., Varasi, M., Vulpetti, A., Warpehoski, M.A.
登録日2004-05-07
公開日2004-06-17
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. 1. Lead Finding
J.Med.Chem., 47, 2004
6DBK
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TYK2 WITH COMPOUND 8
分子名称:Non-receptor tyrosine-protein kinase TYK2, 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide
著者Vajdos, F.F.
登録日2018-05-03
公開日2018-08-29
最終更新日2018-11-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6DBM
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TYK2 WITH COMPOUND 23
分子名称:Non-receptor tyrosine-protein kinase TYK2, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
著者Vajdos, F.F.
登録日2018-05-03
公開日2018-08-29
最終更新日2018-11-07
実験手法X-RAY DIFFRACTION (2.368 Å)
主引用文献Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6DBN
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JAK1 WITH COMPOUND 23
分子名称:Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
著者Vajdos, F.F.
登録日2018-05-03
公開日2018-08-29
最終更新日2018-11-07
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
3FYJ
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CRYSTAL STRUCTURE OF AN OPTIMZIED BENZOTHIOPHENE INHIBITOR BOUND TO MAPKAP KINASE-2 (MK-2)
分子名称:MAP kinase-activated protein kinase 2, (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
著者Kurumbail, R.G., Caspers, N.
登録日2009-01-22
公開日2009-04-07
最終更新日2017-11-01
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
3FYK
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CRYSTAL STRUCTURE OF A BENZTHIOPHENE LEAD BOUND TO MAPKAP KINASE-2 (MK-2)
分子名称:MAP kinase-activated protein kinase 2, (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one
著者Kurumbail, R.G., Caspers, N.
登録日2009-01-22
公開日2009-04-07
最終更新日2017-11-01
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
3FZ1
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CRYSTAL STRUCTURE OF A BENZTHIOPHENE INHIBITOR BOUND TO HUMAN CYCLIN-DEPENDENT KINASE-2 (CDK-2)
分子名称:Cell division protein kinase 2, (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one
著者Kurumbail, R.G., Caspers, N.
登録日2009-01-23
公開日2009-04-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 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
3LCD
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INHIBITOR BOUND TO A DFG-IN STRUCTURE OF THE KINASE DOMAIN OF CSF-1R
分子名称:Macrophage colony-stimulating factor 1 receptor, SULFATE ION, N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine
著者Kamtekar, S., Day, J.E., Reitz, B.A., Mathis, K.J., Meyers, M.J.
登録日2010-01-10
公開日2010-03-02
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode
Bioorg.Med.Chem.Lett., 20, 2010
3LCO
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INHIBITOR BOUND TO A DFG-OUT STRUCTURE OF THE KINASE DOMAIN OF CSF-1R
分子名称:Macrophage colony-stimulating factor 1 receptor, 3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine
著者Kamtekar, S., Day, J.E., Reitz, B.A., Mathis, K.J., Meyers, M.J.
登録日2010-01-11
公開日2010-09-15
最終更新日2017-08-16
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
5UIQ
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CRYSTAL STRUCTURE OF IRAK4 IN COMPLEX WITH COMPOUND 9
分子名称:Interleukin-1 receptor-associated kinase 4, 2-[(propan-2-yl)oxy]benzamide
著者Han, S., Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIR
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CRYSTAL STRUCTURE OF IRAK4 IN COMPLEX WITH COMPOUND 11
分子名称:Interleukin-1 receptor-associated kinase 4, 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-carboxamide
著者Han, S., Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIS
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CRYSTAL STRUCTURE OF IRAK4 IN COMPLEX WITH COMPOUND 12
分子名称:Interleukin-1 receptor-associated kinase 4, 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide
著者Han, S., Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIT
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CRYSTAL STRUCTURE OF IRAK4 IN COMPLEX WITH COMPOUND 14
分子名称:Interleukin-1 receptor-associated kinase 4, 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide
著者Han, S., Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
5UIU
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CRYSTAL STRUCTURE OF IRAK4 IN COMPLEX WITH COMPOUND 30
分子名称:Interleukin-1 receptor-associated kinase 4, 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide
著者Han, S., Chang, J.S.
登録日2017-01-14
公開日2017-05-24
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017