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PDB: 59 件
2FBE
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Crystal Structure of the PRYSPRY-domain
分子名称: PREDICTED: similar to ret finger protein-like 1
著者Gruetter, C, Briand, C, Capitani, G, Mittl, P.R, Gruetter, M.G.
登録日2005-12-09
公開日2006-01-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structure of the PRYSPRY-domain: Implications for autoinflammatory diseases
Febs Lett., 580, 2006
3EO0
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BU of 3eo0 by Molmil
Structure of the Transforming Growth Factor-Beta Neutralizing Antibody GC-1008
分子名称: GC-1008 Fab Heavy Chain, GC-1008 Fab Light Chain, GLYCEROL
著者Gruetter, C, Gruetter, M.G.
登録日2008-09-26
公開日2008-12-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A cytokine-neutralizing antibody as a structural mimetic of 2 receptor interactions
Proc.Natl.Acad.Sci.Usa, 105, 2008
3EO1
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Structure of the Fab Fragment of GC-1008 in Complex with Transforming Growth Factor-Beta 3
分子名称: GC-1008 Fab Heavy Chain, GC-1008 Fab Light Chain, Transforming growth factor beta-3
著者Gruetter, C, Gruetter, M.G.
登録日2008-09-26
公開日2008-12-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A cytokine-neutralizing antibody as a structural mimetic of 2 receptor interactions
Proc.Natl.Acad.Sci.Usa, 105, 2008
3QBN
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BU of 3qbn by Molmil
Structure of Human Aurora A in Complex with a diaminopyrimidine
分子名称: 5-chloro-N~4~-cyclopropyl-N~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine, Serine/threonine-protein kinase 6
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2011-01-13
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Identification of Ustilago maydis Aurora kinase as a novel antifungal target.
Acs Chem.Biol., 6, 2011
3PG3
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Human p38 MAP Kinase in Complex with RL182
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-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2010-10-29
公開日2011-11-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design and synthesis of cell active N-pyrazole, N-thiazole urea inhibitors of the MAP kinase p38alpha
To be Published
3QUD
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Human p38 MAP Kinase in Complex with 2-amino-phenylamino-benzophenone
分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside, {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone
著者Gruetter, C, Rauh, D.
登録日2011-02-23
公開日2012-04-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Resolving the selectivity problem for p38 mitogen activated protein (MAP) Kinase-inhibitors: Development of new highly potent inhibitors of p38 MAP kinase with an outstanding selectivity profile
To be Published
3TZ7
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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
3TZ9
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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
3TZ8
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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
3LFC
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Human p38 MAP Kinase in Complex with RL99
分子名称: (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LFF
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Human p38 MAP Kinase in Complex with RL166
分子名称: (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LFE
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Human p38 MAP Kinase in Complex with RL116
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-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2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LFB
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Human p38 MAP Kinase in Complex with RL98
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-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2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LFA
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Human p38 MAP Kinase in Complex with Dasatinib
分子名称: Mitogen-activated protein kinase 14, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
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 novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LFD
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BU of 3lfd by Molmil
Human p38 MAP Kinase in Complex with RL113
分子名称: 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-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2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LOK
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BU of 3lok by Molmil
Drug resistant cSrc kinase domain in complex with covalent inhibitor PD168393
分子名称: N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE, Proto-oncogene tyrosine-protein kinase Src
著者Gruetter, C, Rode, H.B, Rauh, D.
登録日2010-02-04
公開日2010-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Characterization of irreversible kinase inhibitors by directly detecting covalent bond formation: a tool for dissecting kinase drug resistance
Chembiochem, 11, 2010
3IW6
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BU of 3iw6 by Molmil
Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol
分子名称: Mitogen-activated protein kinase 14, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2009-09-02
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
3IW5
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Human p38 MAP Kinase in Complex with an Indole Derivative
分子名称: Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2009-09-02
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
3IW8
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Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea
分子名称: 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2009-09-02
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
3IW7
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Human p38 MAP Kinase in Complex with an Imidazo-pyridine
分子名称: 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2009-09-02
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
3F3T
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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
3F3U
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Kinase domain of cSrc in complex with inhibitor RL37 (Type III)
分子名称: 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea, 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
4DLJ
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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
3QUE
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Human p38 MAP Kinase in Complex with Skepinone-L
分子名称: 2-[(2,4-difluorophenyl)amino]-7-{[(2R)-2,3-dihydroxypropyl]oxy}-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Mayer-Wrangowski, S, Richters, A, Rauh, D.
登録日2011-02-23
公開日2012-01-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Skepinone-L is a selective p38 mitogen-activated protein kinase inhibitor.
Nat.Chem.Biol., 8, 2012
3L8S
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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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