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3DS6
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BU of 3ds6 by Molmil
P38 complex with a phthalazine inhibitor
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
著者Herberich, B, Syed, R, Li, V, Grosfeld, D.
登録日2008-07-11
公開日2008-10-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
3DT1
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BU of 3dt1 by Molmil
P38 Complexed with a quinazoline inhibitor
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
著者Herberich, B, Syed, R, Li, V, Tasker, A.S.
登録日2008-07-14
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
3U8W
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BU of 3u8w by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor
分子名称: 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
著者Mohr, C, Jordan, S.
登録日2011-10-17
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of triazolopyridazinones as potent p38alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5IPJ
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BU of 5ipj by Molmil
Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor.
分子名称: 2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2016-03-09
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors.
J.Med.Chem., 59, 2016
6MT0
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BU of 6mt0 by Molmil
Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolodihydropyrrolone inhibitor
分子名称: 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2018-10-18
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies.
J. Med. Chem., 62, 2019
4TY1
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BU of 4ty1 by Molmil
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
分子名称: GLYCEROL, N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2014-07-07
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5KZI
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BU of 5kzi by Molmil
Crystal structure of human Pim-1 kinase in complex with an imidazopyridazine inhibitor.
分子名称: Serine/threonine-protein kinase pim-1, ~{N}-[4-[(3~{S})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
著者Mohr, C.
登録日2016-07-25
公開日2016-11-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
3LHJ
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BU of 3lhj by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor.
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
著者Mohr, C, Jordan, S.
登録日2010-01-22
公開日2010-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase.
J.Med.Chem., 53, 2010
5EOL
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BU of 5eol by Molmil
Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor
分子名称: GLYCEROL, Serine/threonine-protein kinase pim-1, macrocyclic quinoxaline-pyrrolodihydropiperidinone
著者Mohr, C.
登録日2015-11-10
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors.
Acs Med.Chem.Lett., 7, 2016
4DK5
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BU of 4dk5 by Molmil
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor
分子名称: 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-02-03
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-based design of a novel series of potent, selective inhibitors of the class I phosphatidylinositol 3-kinases.
J.Med.Chem., 55, 2012

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件を2024-08-07に公開中

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