Author results

2FBE
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CRYSTAL STRUCTURE OF THE PRYSPRY-DOMAIN
Descriptor:PREDICTED: similar to ret finger protein-like 1
Authors:Gruetter, C., Briand, C., Capitani, G., Mittl, P.R., Gruetter, M.G.
Deposit date:2005-12-09
Release date:2006-01-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure of the PRYSPRY-domain: Implications for autoinflammatory diseases
Febs Lett., 580, 2006
3IW5
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HUMAN P38 MAP KINASE IN COMPLEX WITH AN INDOLE DERIVATIVE
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
Authors:Gruetter, C., Simard, J.R., Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
3IW6
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HUMAN P38 MAP KINASE IN COMPLEX WITH A BENZYLPIPERAZIN-PYRROL
Descriptor:Mitogen-activated protein kinase 14, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, B-OCTYLGLUCOSIDE
Authors:Gruetter, C., Simard, J.R., Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine
Authors:Gruetter, C., Simard, J.R., Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor:Mitogen-activated protein kinase 14, 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, B-OCTYLGLUCOSIDE
Authors:Gruetter, C., Simard, J.R., Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
3LFA
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HUMAN P38 MAP KINASE IN COMPLEX WITH DASATINIB
Descriptor: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, B-OCTYLGLUCOSIDE
Authors:Gruetter, C., Simard, J.R., Getlik, M., Rauh, D.
Deposit date:2010-01-16
Release date:2011-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor:Mitogen-activated protein kinase 14, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea, B-OCTYLGLUCOSIDE
Authors:Gruetter, C., Simard, J.R., Getlik, M., Rauh, D.
Deposit date:2010-01-16
Release date:2011-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LFC
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HUMAN P38 MAP KINASE IN COMPLEX WITH RL99
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid
Authors:Gruetter, C., Simard, J.R., Getlik, M., Rauh, D.
Deposit date:2010-01-16
Release date:2011-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LFD
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HUMAN P38 MAP KINASE IN COMPLEX WITH RL113
Descriptor:Mitogen-activated protein kinase 14, 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, B-OCTYLGLUCOSIDE
Authors:Gruetter, C., Simard, J.R., Getlik, M., Rauh, D.
Deposit date:2010-01-16
Release date:2011-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite: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
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea
Authors:Gruetter, C., Simard, J.R., Getlik, M., Rauh, D.
Deposit date:2010-01-16
Release date:2011-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid
Authors:Gruetter, C., Simard, J.R., Getlik, M., Rauh, D.
Deposit date:2010-01-16
Release date:2011-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LOK
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DRUG RESISTANT CSRC KINASE DOMAIN IN COMPLEX WITH COVALENT INHIBITOR PD168393
Descriptor:Proto-oncogene tyrosine-protein kinase Src, N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
Authors:Gruetter, C., Rode, H.B., Rauh, D.
Deposit date:2010-02-04
Release date:2010-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Characterization of irreversible kinase inhibitors by directly detecting covalent bond formation: a tool for dissecting kinase drug resistance
Chembiochem, 11, 2010
3PG3
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HUMAN P38 MAP KINASE IN COMPLEX WITH RL182
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea
Authors:Gruetter, C., Simard, J.R., Getlik, M., Rauh, D.
Deposit date:2010-10-29
Release date:2011-11-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design and synthesis of cell active N-pyrazole, N-thiazole urea inhibitors of the MAP kinase p38alpha
To be Published
3QBN
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STRUCTURE OF HUMAN AURORA A IN COMPLEX WITH A DIAMINOPYRIMIDINE
Descriptor:Serine/threonine-protein kinase 6, 5-chloro-N~4~-cyclopropyl-N~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine
Authors:Gruetter, C., Simard, J.R., Rauh, D.
Deposit date:2011-01-13
Release date:2012-01-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Identification of Ustilago maydis Aurora kinase as a novel antifungal target.
Acs Chem.Biol., 6, 2011
3QUD
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HUMAN P38 MAP KINASE IN COMPLEX WITH 2-AMINO-PHENYLAMINO-BENZOPHENONE
Descriptor:Mitogen-activated protein kinase 14, B-OCTYLGLUCOSIDE, {4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone
Authors:Gruetter, C., Rauh, D.
Deposit date:2011-02-23
Release date:2012-04-11
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor:Proto-oncogene tyrosine-protein kinase Src, N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide
Authors:Gruetter, C., Richters, A., Rauh, D.
Deposit date:2011-09-27
Release date:2012-10-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite: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
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 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
Authors:Gruetter, C., Richters, A., Rauh, D.
Deposit date:2011-09-27
Release date:2012-10-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea
Authors:Gruetter, C., Richters, A., Rauh, D.
Deposit date:2011-09-27
Release date:2012-10-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design
To be Published
3EO0
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STRUCTURE OF THE TRANSFORMING GROWTH FACTOR-BETA NEUTRALIZING ANTIBODY GC-1008
Descriptor:GC-1008 Fab Light Chain, GC-1008 Fab Heavy Chain, GLYCEROL
Authors:Gruetter, C., Gruetter, M.G.
Deposit date:2008-09-26
Release date:2008-12-02
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor:GC-1008 Fab Light Chain, GC-1008 Fab Heavy Chain, Transforming growth factor beta-3
Authors:Gruetter, C., Gruetter, M.G.
Deposit date:2008-09-26
Release date:2008-12-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A cytokine-neutralizing antibody as a structural mimetic of 2 receptor interactions
Proc.Natl.Acad.Sci.Usa, 105, 2008
3F3T
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KINASE DOMAIN OF CSRC IN COMPLEX WITH INHIBITOR RL38 (TYPE III)
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea
Authors:Gruetter, C., Klueter, S., Getlik, M., Rauh, D.
Deposit date:2008-10-31
Release date:2009-03-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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)
Descriptor:Proto-oncogene tyrosine-protein kinase Src, 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea
Authors:Gruetter, C., Klueter, S., Getlik, M., Rauh, D.
Deposit date:2008-10-31
Release date:2009-03-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new screening assay for allosteric inhibitors of cSrc
Nat.Chem.Biol., 5, 2009
3GCP
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HUMAN P38 MAP KINASE IN COMPLEX WITH SB203580
Descriptor:Mitogen-activated protein kinase 14, 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, B-OCTYLGLUCOSIDE
Authors:Gruetter, C., Simard, J.R., Rauh, D.
Deposit date:2009-02-22
Release date:2009-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3GCQ
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HUMAN P38 MAP KINASE IN COMPLEX WITH RL45
Descriptor:Mitogen-activated protein kinase 14, 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, B-OCTYLGLUCOSIDE
Authors:Gruetter, C., Simard, J.R., Getlik, M., Rauh, D.
Deposit date:2009-02-22
Release date:2009-06-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3GCS
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HUMAN P38 MAP KINASE IN COMPLEX WITH SORAFENIB
Descriptor:Mitogen-activated protein kinase 14, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, B-OCTYLGLUCOSIDE
Authors:Gruetter, C., Simard, J.R., Rauh, D.
Deposit date:2009-02-22
Release date:2009-06-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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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