Author results

5ARF
  • Download 5arf
  • View 5arf
Molmil generated image of 5arf
SMYD2 IN COMPLEX WITH SMALL MOLECULE INHIBITOR COMPOUND-2
Descriptor:N-LYSINE METHYLTRANSFERASE SMYD2, N-[3-(4-CHLOROPHENYL)-1-{N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL}-4,5-DIHYDRO-1H- PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, S-ADENOSYLMETHIONINE, ...
Authors:Hillig, R.C., Badock, V., Barak, N., Stellfeld, T., Eggert, E., ter Laak, A., Weiske, J., Christ, C.D., Koehr, S., Stoeckigt, D., Mowat, J., Mueller, T., Fernandez-Montalvan, A.E., Hartung, I.V., Stresemann, C., Brumby, T., Weinmann, H.
Deposit date:2015-09-24
Release date:2016-04-27
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
5ARG
  • Download 5arg
  • View 5arg
Molmil generated image of 5arg
SMYD2 IN COMPLEX WITH SGC PROBE BAY-598
Descriptor:N-LYSINE METHYLTRANSFERASE SMYD2, ZINC ION, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ...
Authors:Hillig, R.C., Badock, V., Barak, N., Stellfeld, T., Eggert, E., ter Laak, A., Weiske, J., Christ, C.D., Koehr, S., Stoeckigt, D., Mowat, J., Mueller, T., Fernandez-Montalvan, A.E., Hartung, I.V., Stresemann, C., Brumby, T., Weinmann, H.
Deposit date:2015-09-24
Release date:2016-04-27
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
2BHE
  • Download 2bhe
  • View 2bhe
Molmil generated image of 2bhe
HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 5-BROMO-INDIRUBINE
Descriptor:CELL DIVISION PROTEIN KINASE 2, (2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE
Authors:Schaefer, M., Jautelat, R., Brumby, T., Briem, H., Eisenbrand, G., Schwahn, S., Krueger, M., Luecking, U., Prien, O., Siemeister, G.
Deposit date:2005-01-10
Release date:2005-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:From the Insoluble Dye Indirubin Towards Highly Active, Soluble Cdk2-Inhibitors
Chembiochem, 6, 2005
2BHH
  • Download 2bhh
  • View 2bhh
Molmil generated image of 2bhh
HUMAN CYCLIN DEPENDENT PROTEIN KINASE 2 IN COMPLEX WITH THE INHIBITOR 4-HYDROXYPIPERINDINESULFONYL-INDIRUBINE
Descriptor:CELL DIVISION PROTEIN KINASE 2, (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-2,3'-BIINDOL-2'(1'H)-ONE
Authors:Schaefer, M., Jautelat, R., Brumby, T., Briem, H., Eisenbrand, G., Schwahn, S., Krueger, M., Luecking, U., Prien, O., Siemeister, G.
Deposit date:2005-01-11
Release date:2005-03-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:From the Insoluble Dye Indirubin Towards Highly Active, Soluble Cdk2-Inhibitors
Chembiochem, 6, 2005
4BGH
  • Download 4bgh
  • View 4bgh
Molmil generated image of 4bgh
CRYSTAL STRUCTURE OF CDK2 IN COMPLEX WITH PAN-CDK INHIBITOR
Descriptor:CYCLIN-DEPENDENT KINASE 2, 4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESULFONAMIDE
Authors:Luecking, U., Jautelat, R., Krueger, M., Brumby, T., Lienau, P., Schaefer, M., Briem, H., Schulze, J., Hillisch, A., Reichel, A., Siemeister, G.
Deposit date:2013-03-26
Release date:2013-09-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Lab Oddity Prevails: Discovery of Pan-Cdk Inhibitor (R)- S-Cyclopropyl-S-(4-{[4-{[(1R,2R)-2-Hydroxy-1-Methylpropyl]Oxy}-5-(Trifluoromethyl)Pyrimidin-2-Yl]Amino}Phenyl)Sulfoximide (Bay 1000394) for the Treatment of Cancer.
Chemmedchem, 8, 2013