Author results

5UOR
  • Download 5uor
  • View 5uor
Molmil generated image of 5uor
STRUCTURE-BASED DESIGN OF ASK1 INHIBITORS AS POTENTIAL FIRST-IN-CLASS AGENTS FOR HEART FAILURE
Descriptor:Mitogen-activated protein kinase kinase kinase 5, SULFATE ION, 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
Authors:Dougan, D.R.
Deposit date:2017-02-01
Release date:2017-06-07
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
5UOX
  • Download 5uox
  • View 5uox
Molmil generated image of 5uox
STRUCTURE-BASED DESIGN OF ASK1 INHIBITORS AS POTENTIAL FIRST-IN-CLASS AGENTS FOR HEART FAILURE
Descriptor:Mitogen-activated protein kinase kinase kinase 5, 2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one
Authors:Dougan, D.R.
Deposit date:2017-02-01
Release date:2017-06-07
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
5UP3
  • Download 5up3
  • View 5up3
Molmil generated image of 5up3
STRUCTURE-BASED DESIGN OF ASK1 INHIBITORS AS POTENTIAL FIRST-IN-CLASS AGENTS FOR HEART FAILURE
Descriptor:Mitogen-activated protein kinase kinase kinase 5, 2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
Authors:Dougan, D.R.
Deposit date:2017-02-01
Release date:2017-06-07
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
5ZG0
  • Download 5zg0
  • View 5zg0
Molmil generated image of 5zg0
CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND COMPOUND-1
Descriptor:Glutamate receptor 2, GLUTAMIC ACID, ZINC ION, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG1
  • Download 5zg1
  • View 5zg1
Molmil generated image of 5zg1
CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND COMPOUND-2
Descriptor:Glutamate receptor 2, GLUTAMIC ACID, 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG2
  • Download 5zg2
  • View 5zg2
Molmil generated image of 5zg2
CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH ZK200775 AND COMPOUND-2
Descriptor:Glutamate receptor 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid, 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
5ZG3
  • Download 5zg3
  • View 5zg3
Molmil generated image of 5zg3
CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND TAK-137
Descriptor:Glutamate receptor 2, 9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, GLUTAMIC ACID, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
3POZ
  • Download 3poz
  • View 3poz
Molmil generated image of 3poz
EGFR KINASE DOMAIN COMPLEXED WITH TAK-285
Descriptor:Epidermal growth factor receptor, SULFATE ION, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
Authors:Aertgeerts, K., Skene, R., Sogabe, S.
Deposit date:2010-11-23
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein.
J.Biol.Chem., 286, 2011
3PP0
  • Download 3pp0
  • View 3pp0
Molmil generated image of 3pp0
CRYSTAL STRUCTURE OF THE KINASE DOMAIN OF HUMAN HER2 (ERBB2).
Descriptor:Receptor tyrosine-protein kinase erbB-2, 2-{2-[4-({5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethanol
Authors:Skene, R.J., Aertgeerts, K., Sogabe, S.
Deposit date:2010-11-23
Release date:2011-03-30
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein.
J.Biol.Chem., 286, 2011
5YBF
  • Download 5ybf
  • View 5ybf
Molmil generated image of 5ybf
CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND HBT1
Descriptor:Glutamate receptor 2,Glutamate receptor 2, GLUTAMIC ACID, 2-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2017-09-04
Release date:2018-01-17
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production.
J. Pharmacol. Exp. Ther., 364, 2018
5YBG
  • Download 5ybg
  • View 5ybg
Molmil generated image of 5ybg
CRYSTAL STRUCTURE OF THE GLUA2O LBD IN COMPLEX WITH GLUTAMATE AND LY451395
Descriptor:Glutamate receptor 2,Glutamate receptor 2, GLUTAMIC ACID, N-[(2R)-2-[4-[4-[2-(methylsulfonylamino)ethyl]phenyl]phenyl]propyl]propane-2-sulfonamide, ...
Authors:Sogabe, S., Igaki, S., Hirokawa, A., Zama, Y., Lane, W., Snell, G.
Deposit date:2017-09-04
Release date:2018-01-17
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production.
J. Pharmacol. Exp. Ther., 364, 2018