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BU of 4nj3 by Molmil

Modulating the interaction between CDK2 and Cyclin A with a Quinoline-based inhibitor
分子名称:	6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2
著者	Fischmann, T.O, Hruza, A.W.
登録日	2013-11-08
公開日	2013-11-27
最終更新日	2014-01-08
実験手法	X-RAY DIFFRACTION (1.848 Å)
主引用文献	Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor. Bioorg.Med.Chem.Lett., 24, 2014

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BU of 4qyy by Molmil

Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State
分子名称:	(3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者	Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A.
登録日	2014-07-26
公開日	2014-11-12
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase. J.Med.Chem., 57, 2014

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BU of 3ksl by Molmil

Structure of FPT bound to DATFP-DH-GPP
分子名称:	(2S,6E)-8-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2S)-3,3,3-trifluoro-2-hydrazinopropanoate, Farnesyltransferase, CAAX box, ...
著者	Hovlid, M.L, Edelstein, R.L, Henry, O, Ochocki, J, DeGraw, A, Lenevich, S, Talbot, T, Young, V, Hruza, A.W, Lopez-Gallego, F, Labello, N.P, Strickland, C.L, Schmidt-Dannert, C, Distefano, M.D.
登録日	2009-11-23
公開日	2009-12-22
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Synthesis, properties, and applications of diazotrifluropropanoyl-containing photoactive analogs of farnesyl diphosphate containing modified linkages for enhanced stability. Chem.Biol.Drug Des., 75, 2010

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BU of 6dcg by Molmil

Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
分子名称:	(3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者	Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A.
登録日	2018-05-06
公開日	2018-08-08
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.45 Å)
主引用文献	MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018

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BU of 7rn5 by Molmil

Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen
分子名称:	ACETYL GROUP, MAGNESIUM ION, PYROPHOSPHATE, ...
著者	Hruza, A, Strickland, C.L.
登録日	2021-07-29
公開日	2021-09-08
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.28 Å)
主引用文献	Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen. ACS Med Chem Lett, 12, 2021

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BU of 7rni by Molmil

Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen
分子名称:	ACETYL GROUP, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ...
著者	Hruza, A, Strickland, C.L.
登録日	2021-07-29
公開日	2021-09-08
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.978 Å)
主引用文献	Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen. ACS Med Chem Lett, 12, 2021

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BU of 2r3r by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2021-07-28
実験手法	X-RAY DIFFRACTION (1.47 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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BU of 2r3q by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide, Cell division protein kinase 2
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.35 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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BU of 2r3p by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.66 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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BU of 2r3k by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine, Cell division protein kinase 2
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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BU of 2r3n by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.63 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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BU of 2r3g by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.55 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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BU of 2r3j by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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BU of 2r3h by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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BU of 2r3l by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine, Cell division protein kinase 2
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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BU of 2r3o by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol, Cell division protein kinase 2
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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BU of 2r3m by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	Cell division protein kinase 2, N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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BU of 2r3f by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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BU of 2r3i by Molmil

Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称:	5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者	Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日	2007-08-29
公開日	2008-01-22
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.28 Å)
主引用文献	Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008

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