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5N7V
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TTK KINASE DOMAIN IN COMPLEX WITH MPI-0479605
Descriptor:Dual specificity protein kinase TTK, ~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL
Authors:Uitdehaag, J., Willemsen-Seegers, N., Zaman, G.J.R.
Deposit date:2017-02-21
Release date:2017-05-31
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5N84
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TTK KINASE DOMAIN IN COMPLEX WITH MPS-BAY2B
Descriptor:Dual specificity protein kinase TTK, ~{N}-cyclopropyl-4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide, SODIUM ION, ...
Authors:Uitdehaag, J., Willemsen-Seegers, N., de Man, J., Buijsman, R.C., Zaman, G.J.R.
Deposit date:2017-02-22
Release date:2017-05-31
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5N87
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TTK KINASE DOMAIN IN COMPLEX WITH NTRC 0066-0
Descriptor:Dual specificity protein kinase TTK, ~{N}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide, 2,5,8,11-TETRAOXATRIDECANE, ...
Authors:Uitdehaag, J., Willemsen-Seegers, N., Sterrenburg, J.G., de Man, J., Buijsman, R.C., Zaman, G.J.R.
Deposit date:2017-02-23
Release date:2017-05-31
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5N93
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TTK KINASE DOMAIN IN COMPLEX WITH TC-MPS1-12
Descriptor:Dual specificity protein kinase TTK, 4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide
Authors:Uitdehaag, J., Willemsen-Seegers, N., de Man, J., Buijsman, R.C., Zaman, G.J.R.
Deposit date:2017-02-24
Release date:2017-05-31
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5N9S
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TTK KINASE DOMAIN IN COMPLEX WITH BAY 1161909
Descriptor:Dual specificity protein kinase TTK, (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
Authors:Uitdehaag, J., Willemsen-Seegers, N., de Man, J., Buijsman, R.C., Zaman, G.J.R.
Deposit date:2017-02-27
Release date:2017-05-31
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5NA0
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TTK KINASE DOMAIN IN COMPLEX WITH A PEG-LINKED PYRIMIDO-INDOLIZINE
Descriptor:Dual specificity protein kinase TTK, ~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
Authors:Uitdehaag, J., Willemsen-Seegers, N., de Man, J., Buijsman, R.C., Zaman, G.J.R.
Deposit date:2017-02-27
Release date:2017-05-31
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5NAD
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TTK KINASE DOMAIN IN COMPLEX WITH BAY 1217389
Descriptor:Dual specificity protein kinase TTK, BAY 1217389
Authors:Uitdehaag, J.C.M., Willemsen-Seegers, N., Sterrenburg, J.G., de Man, J., Buijsman, R.C., Zaman, G.J.R.
Deposit date:2017-02-27
Release date:2017-05-31
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5TBE
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HUMAN P38ALPHA MAP KINASE IN COMPLEX WITH DIBENZOSUBERONE COMPOUND 2
Descriptor:Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide
Authors:Buehrmann, M., Rauh, D.
Deposit date:2016-09-12
Release date:2017-04-19
Last modified:2017-05-03
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017
5TCO
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HUMAN P38 MAP KINASE IN COMPLEX WITH DIBENZOSUBERONE COMPOUND 1
Descriptor:Mitogen-activated protein kinase 14, 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide, B-OCTYLGLUCOSIDE
Authors:Mayer-Wrangowski, S.C., Rauh, D.
Deposit date:2016-09-15
Release date:2017-04-19
Last modified:2017-05-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017