Author results

5N84
  • Download 5n84
  • View 5n84
Molmil generated image of 5n84
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
  • Download 5n87
  • View 5n87
Molmil generated image of 5n87
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
  • Download 5n93
  • View 5n93
Molmil generated image of 5n93
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
  • Download 5n9s
  • View 5n9s
Molmil generated image of 5n9s
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
  • Download 5na0
  • View 5na0
Molmil generated image of 5na0
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
  • Download 5nad
  • View 5nad
Molmil generated image of 5nad
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
5N7V
  • Download 5n7v
  • View 5n7v
Molmil generated image of 5n7v
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
5FBN
  • Download 5fbn
  • View 5fbn
Molmil generated image of 5fbn
BTK KINASE DOMAIN WITH INHIBITOR 1
Descriptor:Tyrosine-protein kinase BTK, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, ...
Authors:Raaijmakers, H.C.A., Vu-Pham, D.
Deposit date:2015-12-14
Release date:2016-02-03
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 7, 2016
5FBO
  • Download 5fbo
  • View 5fbo
Molmil generated image of 5fbo
BTK-INHIBITOR CO-STRUCTURE
Descriptor:Tyrosine-protein kinase BTK, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide
Authors:Fischmann, T.O.
Deposit date:2015-12-14
Release date:2016-03-23
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.894 Å)
Cite:Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
ACS Med Chem Lett, 7, 2016