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BU of 3f3t by Molmil

Kinase domain of cSrc in complex with inhibitor RL38 (Type III)
分子名称:	1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Proto-oncogene tyrosine-protein kinase Src
著者	Gruetter, C, Klueter, S, Getlik, M, Rauh, D.
登録日	2008-10-31
公開日	2009-03-03
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	A new screening assay for allosteric inhibitors of cSrc Nat.Chem.Biol., 5, 2009

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BU of 3gcu by Molmil

Human P38 MAP kinase in complex with RL48
分子名称:	1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ...
著者	Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日	2009-02-22
公開日	2009-06-09
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009

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BU of 3gcq by Molmil

Human P38 MAP kinase in complex with RL45
分子名称:	1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者	Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日	2009-02-22
公開日	2009-06-09
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009

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BU of 4dlj by Molmil

Human p38 MAP kinase in complex with RL163
分子名称:	2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14
著者	Gruetter, C, Termathe, M.
登録日	2012-02-06
公開日	2013-01-23
最終更新日	2023-09-13
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Fluorophore labeled kinase detects ligands that bind within the MAPK insert of p38alpha kinase. Plos One, 7, 2012

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BU of 3g5d by Molmil

Kinase domain of cSrc in complex with Dasatinib
分子名称:	GLYCEROL, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase Src
著者	Grutter, C, Kluter, S, Rauh, D.
登録日	2009-02-05
公開日	2009-06-02
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc J.Med.Chem., 52, 2009

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BU of 5d12 by Molmil

Kinase domain of cSrc in complex with RL40
分子名称:	N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
著者	Becker, C, Richters, A, Engel, J, Rauh, D.
登録日	2015-08-03
公開日	2015-09-09
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (3 Å)
主引用文献	Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach. J.Med.Chem., 58, 2015

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BU of 5d10 by Molmil

Kinase domain of cSrc in complex with RL236
分子名称:	N-[4-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
著者	Becker, C, Mayer-Wrangowski, S.C, Julian, E, Rauh, D.
登録日	2015-08-03
公開日	2015-09-02
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach. J.Med.Chem., 58, 2015

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BU of 5d11 by Molmil

Kinase domain of cSrc in complex with RL235
分子名称:	GLYCEROL, N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
著者	Becker, C, Gruetter, C, Engel, J, Rauh, D.
登録日	2015-08-03
公開日	2015-09-09
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach. J.Med.Chem., 58, 2015

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BU of 6gn1 by Molmil

Crystal Structure of Glycogen synthase kinase-3 beta (GSK3B) in Complex with PIK-75
分子名称:	CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide
著者	Tesch, R, Becker, C, Mueller, M.P, Sant'Anna, C.M.R, Fraga, C.A.M, Rauh, D.
登録日	2018-05-29
公開日	2018-06-20
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	An Unusual Intramolecular Halogen Bond Guides Conformational Selection. Angew. Chem. Int. Ed. Engl., 57, 2018

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BU of 4e7w by Molmil

Structure of GSK3 from Ustilago maydis
分子名称:	Glycogen Synthase Kinase 3
著者	Gruetter, C, Rauh, D.
登録日	2012-03-19
公開日	2012-05-16
最終更新日	2023-12-06
実験手法	X-RAY DIFFRACTION (3.3 Å)
主引用文献	Targeting GSK3 from Ustilago maydis: Type-II Kinase Inhibitors as Potential Antifungals. Acs Chem.Biol., 7, 2012

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BU of 3tz7 by Molmil

Kinase domain of cSrc in complex with RL103
分子名称:	N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide, Proto-oncogene tyrosine-protein kinase Src
著者	Gruetter, C, Richters, A, Rauh, D.
登録日	2011-09-27
公開日	2012-10-10
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (3.3 Å)
主引用文献	Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design To be Published

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BU of 3tz9 by Molmil

Kinase domain of cSrc in complex with RL130
分子名称:	1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src
著者	Gruetter, C, Richters, A, Rauh, D.
登録日	2011-09-27
公開日	2012-10-10
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (3.1 Å)
主引用文献	Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design To be Published

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BU of 3tz8 by Molmil

Kinase domain of cSrc in complex with RL104
分子名称:	N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-3-(4-methylpiperazin-1-yl)propanamide, Proto-oncogene tyrosine-protein kinase Src
著者	Gruetter, C, Richters, A, Rauh, D.
登録日	2011-09-27
公開日	2012-10-10
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design To be Published

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BU of 3hub by Molmil

Human p38 MAP Kinase in Complex with Scios-469
分子名称:	2-(6-chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者	Gruetter, C, Simard, J.R, Rauh, D.
登録日	2009-06-13
公開日	2010-03-09
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (2.25 Å)
主引用文献	Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations. J.Am.Chem.Soc., 132, 2010

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BU of 3l8s by Molmil

Human p38 MAP Kinase in Complex with CP-547632
分子名称:	3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者	Gruetter, C, Simard, J.R, Rauh, D.
登録日	2010-01-03
公開日	2010-03-09
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (2.35 Å)
主引用文献	Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations. J.Am.Chem.Soc., 132, 2010

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BU of 3gcp by Molmil

Human P38 MAP Kinase in Complex with SB203580
分子名称:	4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者	Gruetter, C, Simard, J.R, Rauh, D.
登録日	2009-02-22
公開日	2009-06-09
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.25 Å)
主引用文献	Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009

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BU of 3gcs by Molmil

Human P38 MAP kinase in complex with Sorafenib
分子名称:	4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者	Gruetter, C, Simard, J.R, Rauh, D.
登録日	2009-02-22
公開日	2009-06-09
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors. J.Am.Chem.Soc., 131, 2009

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件を2024-07-10に公開中

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