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1H00
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CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, (2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
Authors:Beattie, J.F., Breault, G.A., Ellston, R.P.A., Green, S., Jewsbury, P.J., Midgley, C.J., Naven, R.T., Minshull, C.A., Pauptit, R.A., Tucker, J.A., Pease, J.E.
Deposit date:2002-06-10
Release date:2003-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
1H01
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CDK2 IN COMPLEX WITH A DISUBSTITUTED 2, 4-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR
Descriptor:CYCLIN-DEPENDENT KINASE 2, GLYCEROL, (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, ...
Authors:Breault, G.A., Ellston, R.P.A., Green, S., James, S.R., Jewsbury, P.J., Midgley, C.J., Minshull, C.A., Pauptit, R.A., Tucker, J.A., Pease, J.E.
Deposit date:2002-06-10
Release date:2003-07-11
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
1H07
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CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE, ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE
Authors:Beattie, J.F., Breault, G.A., Ellston, R.P.A., Green, S., Jewsbury, P.J., Midgley, C.J., Naven, R.T., Minshull, C.A., Pauptit, R.A., Tucker, J.A., Pease, J.E.
Deposit date:2002-06-11
Release date:2003-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
1H08
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CDK2 IN COMPLEX WITH A DISUBSTITUTED 2, 4-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, ...
Authors:Breault, G.A., Ellston, R.P.A., Green, S., James, S.R., Jewsbury, P.J., Midgley, C.J., Minshull, C.A., Pauptit, R.A., Tucker, J.A., Pease, J.E.
Deposit date:2002-06-11
Release date:2003-07-11
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
1OIQ
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IMIDAZOPYRIDINES: A POTENT AND SELECTIVE CLASS OF CYCLIN-DEPENDENT KINASE INHIBITORS IDENTIFIED THROUGH STRUCTURE-BASED HYBRIDISATION
Descriptor:CELL DIVISION PROTEIN KINASE 2, N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE
Authors:Beattie, J.F., Breault, G.A., Byth, K.F., Culshaw, J.D., Ellston, R.P.A., Green, S., Minshull, C.A., Norman, R.A., Pauptit, R.A., Thomas, A.P., Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1OIR
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IMIDAZOPYRIDINES: A POTENT AND SELECTIVE CLASS OF CYCLIN-DEPENDENT KINASE INHIBITORS IDENTIFIED THROUGH STRUCTURE-BASED HYBRIDISATION
Descriptor:CELL DIVISION PROTEIN KINASE 2, 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL
Authors:Beattie, J.F., Breault, G.A., Byth, K.F., Culshaw, J.D., Ellston, R.P.A., Green, S., Minshull, C.A., Norman, R.A., Pauptit, R.A., Thomas, A.P., Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1OIT
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IMIDAZOPYRIDINES: A POTENT AND SELECTIVE CLASS OF CYCLIN-DEPENDENT KINASE INHIBITORS IDENTIFIED THROUGH STRUCTURE-BASED HYBRIDISATION
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE
Authors:Beattie, J.F., Breault, G.A., Byth, K.F., Culshaw, J.D., Ellston, R.P.A., Green, S., Minshull, C.A., Norman, R.A., Pauptit, R.A., Thomas, A.P., Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1PXM
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
Descriptor:Cell division protein kinase 2, 3-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
Authors:Wang, S., Meades, C., Wood, G., Osnowski, A., Anderson, S., Yuill, R., Thomas, M., Jackson, W., Midgley, C., Griffiths, G., McNae, I., Wu, S.Y., McInnes, C., Zheleva, D., Walkinshaw, M.D., Fischer, P.M.
Deposit date:2003-07-04
Release date:2004-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1PXN
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
Descriptor:Cell division protein kinase 2, 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
Authors:Wang, S., Meades, C., Wood, G., Osnowski, A., Anderson, S., Yuill, R., Thomas, M., Mezna, M., Jackson, W., Midgley, C., Griffiths, G., McNae, I., Wu, S.Y., McInnes, C., Zheleva, D., Walkinshaw, M.D., Fischer, P.M.
Deposit date:2003-07-04
Release date:2004-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1PXO
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
Descriptor:Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE
Authors:Wang, S., Meades, C., Wood, G., Osnowski, A., Anderson, S., Yuill, R., Thomas, M., Mezna, M., Jackson, W., Midgley, C., Griffiths, G., McNae, I., Wu, S.Y., McInnes, C., Zheleva, D., Walkinshaw, M.D., Fischer, P.M.
Deposit date:2003-07-04
Release date:2004-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1PXP
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HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
Descriptor:Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
Authors:Wang, S., Meades, C., Wood, G., Osnowski, A., Anderson, S., Yuill, R., Thomas, M., Mezna, M., Jackson, W., Midgley, C., Griffiths, G., McNae, I., Wu, S.Y., McInnes, C., Zheleva, D., Walkinshaw, M.D., Fischer, P.M.
Deposit date:2003-07-04
Release date:2004-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
1OKV
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CYCLIN A BINDING GROOVE INHIBITOR H-ARG-ARG-LEU-ILE-PHE-NH2
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, H-ARG-ARG-LEU-ILE-PHE-NH2
Authors:Kontopidis, G., Andrews, M., McInnes, C., Cowan, A., Powers, H., Innes, L., Plater, A., Griffiths, G., Paterson, D., Zheleva, D., Lane, D., Green, S., Walkinshaw, M., Fischer, P.
Deposit date:2003-07-30
Release date:2003-12-11
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
1OKW
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CYCLIN A BINDING GROOVE INHIBITOR AC-ARG-ARG-LEU-ASN-(M-CL-PHE)-NH2
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ACE-ARG-ARG-LEU-ASN-FCL-NH2
Authors:Kontopidis, G., Andrews, M., McInnes, C., Cowan, A., Powers, H., Innes, L., Plater, A., Griffiths, G., Paterson, D., Zheleva, D., Lane, D., Green, S., Walkinshaw, M., Fischer, P.
Deposit date:2003-07-31
Release date:2003-12-11
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
1OL1
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CYCLIN A BINDING GROOVE INHIBITOR H-CIT-CIT-LEU-ILE-(P-F-PHE)-NH2
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, CIR-CIR-LEU-ILE-PFF-NH2
Authors:Kontopidis, G., Andrews, M., McInnes, C., Cowan, A., Powers, H., Innes, L., Plater, A., Griffiths, G., Paterson, D., Zheleva, D., Lane, D., Green, S., Walkinshaw, M., Fischer, P.
Deposit date:2003-08-04
Release date:2003-12-11
Last modified:2017-02-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
1OL2
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CYCLIN A BINDING GROOVE INHIBITOR H-ARG-ARG-LEU-ASN-(P-F-PHE)-NH2
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ARG-ARG-LEU-ASN-PFF-NH2
Authors:Kontopidis, G., Andrews, M., McInnes, C., Cowan, A., Powers, H., Innes, L., Plater, A., Griffiths, G., Paterson, D., Zheleva, D., Lane, D., Green, S., Walkinshaw, M., Fischer, P.
Deposit date:2003-08-05
Release date:2003-12-11
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
1URC
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CYCLIN A BINDING GROOVE INHIBITOR ACE-ARG-LYS-LEU-PHE-GLY
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, PEPTIDE INHIBITOR
Authors:Kontopidis, G., Andrews, M., McInnes, C., Cowan, A., Powers, H., Innes, L., Plater, A., Griffiths, G., Paterson, D., Zheleva, D., Lane, D., Green, S., Walkinshaw, M., Fischer, P.
Deposit date:2003-10-28
Release date:2003-10-31
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, biological activity and structural analysis of cyclic peptide inhibitors targeting the substrate recruitment site of cyclin-dependent kinase complexes.
Org. Biomol. Chem., 2, 2004
1V1K
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CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL
Authors:Beattie, J.F., Breault, G.A., Ellston, R.P.A., Green, S., Jewsbury, P.J., Midgley, C.J., Naven, R.T., Minshull, C.A., Pauptit, R.A., Tucker, J.A., Pease, J.E.
Deposit date:2004-04-16
Release date:2004-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
2C6D
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AURORA A KINASE ACTIVATED MUTANT (T287D) IN COMPLEX WITH ADPNP
Descriptor:SERINE/THREONINE-PROTEIN KINASE 6, GLYCEROL, PHOSPHATE ION, ...
Authors:Pauptit, R.A., Pannifer, A.D., Breed, J., McMiken, H.H.J., Rowsell, S., Anderson, M.
Deposit date:2005-11-09
Release date:2006-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2C6E
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AURORA A KINASE ACTIVATED MUTANT (T287D) IN COMPLEX WITH A 5- AMINOPYRIMIDINYL QUINAZOLINE INHIBITOR
Descriptor:SERINE/THREONINE-PROTEIN KINASE 6, N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
Authors:Pauptit, R.A., Pannifer, A.D., Breed, J., McMiken, H.H.J., Rowsell, S., Anderson, M.
Deposit date:2005-11-09
Release date:2006-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006