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5IEV
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CRYSTAL STRUCTURE OF BAY 1000394 (RONICICLIB) BOUND TO CDK2
Descriptor:Cyclin-dependent kinase 2, Roniciclib
Authors:Ayaz, P., Andres, D., Kwiatkowski, D.A., Kolbe, C., Lienau, P., Siemeister, G., Luecking, U., Stegmann, C.M.
Deposit date:2016-02-25
Release date:2016-04-27
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5IEX
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CRYSTAL STRUCTURE OF (R,S)-S-{4-[(5-BROMO-4-{[(2R,3R)-2-HYDROXY-1-METHYLPROPYL]OXY}- PYRIMIDIN-2-YL)AMINO]PHENYL}-S-CYCLOPROPYLSULFOXIMIDE BOUND TO CDK2
Descriptor:Cyclin-dependent kinase 2, (2R,3R)-3-[(5-bromo-2-{[4-(S-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol
Authors:Ayaz, P., Andres, D., Kwiatkowski, D.A., Kolbe, C., Lienau, P., Siemeister, G., Luecking, U., Stegmann, C.M.
Deposit date:2016-02-25
Release date:2016-04-27
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5IEY
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CRYSTAL STRUCTURE OF A CDK INHIBITOR BOUND TO CDK2
Descriptor:Cyclin-dependent kinase 2, 4-[(4-{[(2R,3R)-3-hydroxybutan-2-yl]amino}pyrimidin-2-yl)amino]benzene-1-sulfonamide
Authors:Ayaz, P., Andres, D., Kwiatkowski, D.A., Kolbe, C., Lienau, P., Siemeister, G., Luecking, U., Stegmann, C.M.
Deposit date:2016-02-25
Release date:2016-04-27
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5IF1
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CRYSTAL STRUCTURE APO CDK2/CYCLIN A
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2
Authors:Ayaz, P., Andres, D., Kwiatkowski, D.A., Kolbe, C., Lienau, P., Siemeister, G., Luecking, U., Stegmann, C.M.
Deposit date:2016-02-25
Release date:2016-04-27
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
2J9M
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CRYSTAL STRUCTURE OF CDK2 IN COMPLEX WITH MACROCYCLIC AMINOPYRIMIDINE
Descriptor:CELL DIVISION PROTEIN KINASE 2, 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE
Authors:Schaefer, M., Luecking, U., Siemeister, G., Briem, H., Krueger, M., Lienau, P., Jautelat, R.
Deposit date:2006-11-13
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Macrocyclic Aminopyrimidines as Multitarget Cdk and Vegf-R Inhibitors with Potent Antiproliferative Activities.
Chemmedchem, 2, 2007
4BGH
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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