Author results

1PW2
  • Download 1pw2
  • View 1pw2
Molmil generated image of 1pw2
APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2
Descriptor:Cell division protein kinase 2
Authors:Wu, S.Y., McNae, I., Kontopidis, G., McClue, S.J., McInnes, C., Stewart, K.J., Wang, S., Zheleva, D.I., Marriage, H., Lane, D.P., Taylor, P., Fischer, P.M., Walkinshaw, M.D.
Deposit date:2003-06-30
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop.
Structure, 11, 2003
1PXI
  • Download 1pxi
  • View 1pxi
Molmil generated image of 1pxi
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,5-DICHLORO-THIOPHEN-3-YL)-PYRIMIDIN-2-YLAMINE
Descriptor:Cell division protein kinase 2, 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-2-AMINE
Authors:Wu, S.Y., McNae, I., Kontopidis, G., McClue, S.J., McInnes, C., Stewart, K.J., Wang, S., Zheleva, D.I., Marriage, H., Lane, D.P., Taylor, P., Fischer, P.M., Walkinshaw, M.D.
Deposit date:2003-07-04
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
1PXJ
  • Download 1pxj
  • View 1pxj
Molmil generated image of 1pxj
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINE
Descriptor:Cell division protein kinase 2, 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE
Authors:Wu, S.Y., McNae, I., Kontopidis, G., McClue, S.J., McInnes, C., Stewart, K.J., Wang, S., Zheleva, D.I., Marriage, H., Lane, D.P., Taylor, P., Fischer, P.M., Walkinshaw, M.D.
Deposit date:2003-07-04
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
1PXK
  • Download 1pxk
  • View 1pxk
Molmil generated image of 1pxk
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMINOFORMAMIDE
Descriptor:Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE
Authors:Wu, S.Y., McNae, I., Kontopidis, G., McClue, S.J., McInnes, C., Stewart, K.J., Wang, S., Zheleva, D.I., Marriage, H., Lane, D.P., Taylor, P., Fischer, P.M., Walkinshaw, M.D.
Deposit date:2003-07-04
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
1PXL
  • Download 1pxl
  • View 1pxl
Molmil generated image of 1pxl
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(4-TRIFLUOROMETHYL-PHENYL)-AMINE
Descriptor:Cell division protein kinase 2, 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE
Authors:Wu, S.Y., McNae, I., Kontopidis, G., McClue, S.J., McInnes, C., Stewart, K.J., Wang, S., Zheleva, D.I., Marriage, H., Lane, D.P., Taylor, P., Fischer, P.M., Walkinshaw, M.D.
Deposit date:2003-07-04
Release date:2003-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
2W97
  • Download 2w97
  • View 2w97
Molmil generated image of 2w97
CRYSTAL STRUCTURE OF EIF4E BOUND TO GLYCEROL AND EIF4G1 PEPTIDE
Descriptor:EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4 GAMMA 1, [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE, ...
Authors:Brown, C.J., Verma, C.S., Walkinshaw, M.D., Lane, D.P.
Deposit date:2009-01-22
Release date:2010-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystallization of Eif4E Complexed with Eif4Gi Peptide and Glycerol Reveals Distinct Structural Differences Around the CAP-Binding Site.
Cell Cycle, 8, 2009
2XMY
  • Download 2xmy
  • View 2xmy
Molmil generated image of 2xmy
DISCOVERY AND CHARACTERISATION OF 2-ANILINO-4-(THIAZOL-5-YL) PYRIMIDINE TRANSCRIPTIONAL CDK INHIBITORS AS ANTICANCER AGENTS
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE
Authors:Wang, S., Griffiths, G., Midgley, C.A., Barnett, A.L., Cooper, M., Grabarek, J., Ingram, L., Jackson, W., Kontopidis, G., McClue, S.J., McInnes, C., McLachlan, J., Meades, C., Mezna, M., Stuart, I., Thomas, M.P., Zheleva, D.I., Lane, D.P., Jackson, R.C., Glover, D.M., Blake, D.G., Fischer, P.M.
Deposit date:2010-07-29
Release date:2010-11-10
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
2XNB
  • Download 2xnb
  • View 2xnb
Molmil generated image of 2xnb
DISCOVERY AND CHARACTERISATION OF 2-ANILINO-4-(THIAZOL-5-YL) PYRIMIDINE TRANSCRIPTIONAL CDK INHIBITORS AS ANTICANCER AGENTS
Descriptor:CELL DIVISION PROTEIN KINASE 2, 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE
Authors:Wang, S., Griffiths, G., Midgley, C.A., Barnett, A.L., Cooper, M., Grabarek, J., Ingram, L., Jackson, W., Kontopidis, G., McClue, S.J., McInnes, C., McLachlan, J., Meades, C., Mezna, M., Stuart, I., Thomas, M.P., Zheleva, D.I., Lane, D.P., Jackson, R.C., Glover, D.M., Blake, D.G., Fischer, P.M.
Deposit date:2010-08-01
Release date:2010-11-10
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
4AZA
  • Download 4aza
  • View 4aza
Molmil generated image of 4aza
IMPROVED EIF4E BINDING PEPTIDES BY PHAGE DISPLAY GUIDED DESIGN.
Descriptor:EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EIF4G1_D5S PEPTIDE, [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE
Authors:Chew, W.Z., Quah, S.T., Verma, C.S., Liu, Y., Lane, D.P., Brown, C.J.
Deposit date:2012-06-25
Release date:2012-08-08
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Improved Eif4E Binding Peptides by Phage Display Guided Design: Plasticity of Interacting Surfaces Yield Collective Effects.
Plos One, 7, 2012
4BEA
  • Download 4bea
  • View 4bea
Molmil generated image of 4bea
CRYSTAL STRUCTURE OF EIF4E IN COMPLEX WITH A STAPLED PEPTIDE DERIVATIVE
Descriptor:EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, STAPLED EIF4E INTERACTING PEPTIDE
Authors:Quah, S.T., Lama, D., Verma, C.S., Lane, D.P., Brown, C.J.
Deposit date:2013-03-07
Release date:2013-12-11
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Rational Optimization of Conformational Effects Induced by Hydrocarbon Staples in Peptides and Their Binding Interfaces.
Sci.Rep., 3, 2013
4UD7
  • Download 4ud7
  • View 4ud7
Molmil generated image of 4ud7
STRUCTURE OF THE STAPLED PEPTIDE YS-02 BOUND TO MDM2
Descriptor:MDM2, YS-02
Authors:Tan, Y.S., Reeks, J., Brown, C.J., Jennings, C.E., Eapen, R.S., Tng, Q.S., Thean, D., Ying, Y.T., Gago, F.J.F., Lane, D.P., Noble, M.E.M., Verma, C.
Deposit date:2014-12-08
Release date:2016-01-13
Last modified:2017-01-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
4UE1
  • Download 4ue1
  • View 4ue1
Molmil generated image of 4ue1
STRUCTURE OF THE STAPLED PEPTIDE YS-01 BOUND TO MDM2
Descriptor:E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01
Authors:Tan, Y.S., Reeks, J., Brown, C.J., Jennings, C.E., Eapen, R.S., Tng, Q.S., Thean, D., Ying, Y.T., Gago, F.J.F., Lane, D.P., Noble, M.E.M., Verma, C.
Deposit date:2014-12-14
Release date:2016-01-13
Last modified:2017-01-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design.
J Phys Chem Lett, 7, 2016
4UMN
  • Download 4umn
  • View 4umn
Molmil generated image of 4umn
STRUCTURE OF A STAPLED PEPTIDE ANTAGONIST BOUND TO NUTLIN-RESISTANT MDM2.
Descriptor:E3 UBIQUITIN-PROTEIN LIGASE MDM2, M06
Authors:Chee, S., Wongsantichon, J., Quah, S., Robinson, R.C., Verma, C., Lane, D.P., Brown, C.J., Ghadessy, F.J.
Deposit date:2014-05-20
Release date:2014-05-28
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure of a stapled peptide antagonist bound to nutlin-resistant Mdm2.
PLoS ONE, 9, 2014
5ZJY
  • Download 5zjy
  • View 5zjy
Molmil generated image of 5zjy
STAPLED-PEPTIDES TAILORED AGAINST INITIATION OF TRANSLATION
Descriptor:Eukaryotic translation initiation factor 4E, LYS-LYS-ARG-TYR-SER-ARG-2JN-GLN-LEU-LEU-2JN-PHE, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE
Authors:Lama, D., Liberator, A., Frosi, Y., Nakhle, J., Tsomia, N., Bashir, T., Lane, D.P., Brown, C.J., Verma, C.S., Auvin, S., Ciesielski, B., Uhring, M.
Deposit date:2018-03-22
Release date:2019-03-20
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
5ZJZ
  • Download 5zjz
  • View 5zjz
Molmil generated image of 5zjz
STAPLED-PEPTIDES TAILORED AGAINST INITIATION OF TRANSLATION
Descriptor:Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4 gamma 1, 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE
Authors:Lama, D., Liberator, A., Frosi, Y., Nakhle, J., Tsomia, N., Bashir, T., Lane, D.P., Brown, C.J., Verma, C.S., Auvin, S., Ciesielski, F., Uhring, M.
Deposit date:2018-03-22
Release date:2019-02-20
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
5ZK5
  • Download 5zk5
  • View 5zk5
Molmil generated image of 5zk5
STAPLED-PEPTIDES TAILORED AGAINST INITIATION OF TRANSLATION
Descriptor:Eukaryotic translation initiation factor 4E, LYS-ARG-TYR-SER-ARG-GLU-GLN-LEU-LEU-MK8-PHE-GLN-ARG-MK8, 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Lama, D., Liberator, A., Frosi, Y., Nakhle, J., Tsomia, N., Bashir, T., Lane, D.P., Brown, C.J., Verma, C.S., Auvin, S., Ciesielski, F., Uhring, M.
Deposit date:2018-03-23
Release date:2019-02-20
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
5ZK7
  • Download 5zk7
  • View 5zk7
Molmil generated image of 5zk7
STAPLED-PEPTIDES TAILORED AGAINST INITIATION OF TRANSLATION
Descriptor:Eukaryotic translation initiation factor 4E, ACE-ARG-TYR-SER-ARG-MK8-GLN-LEU-LEU-MK8-LEU-PHE-ARG-NH2, 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Lama, D., Liberator, A., Frosi, Y., Nakhle, J., Tsomia, N., Bashir, T., Lane, D.P., Brown, C.J., Verma, C.S., Auvin, S., Ciesielski, F., Uhring, M.
Deposit date:2018-03-23
Release date:2019-02-20
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
5ZK9
  • Download 5zk9
  • View 5zk9
Molmil generated image of 5zk9
STAPLED-PEPTIDES TAILORED AGAINST INITIATION OF TRANSLATION
Descriptor:Eukaryotic translation initiation factor 4E, ACE-ARG-ILE-ILE-TYR-SER-ARG-MK8-GLN-LEU-LEU-MK8-LEU-LYS-NH2, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Lama, D., Liberator, A., Frosi, Y., Nakhle, J., Tsomia, N., Bashir, T., Lane, D.P., Brown, C.J., Verma, C.S., Auvin, S., Ciesielski, F., Uhring, M.
Deposit date:2018-03-23
Release date:2019-02-20
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
5ZML
  • Download 5zml
  • View 5zml
Molmil generated image of 5zml
STAPLED-PEPTIDES TAILORED AGAINST INITIATION OF TRANSLATION
Descriptor:Eukaryotic translation initiation factor 4E, ACE-LYS-LYS-ARG-TYR-SER-ARG-MK8-GLN-LEU-LEU-MK8-PHE-ARG-ARG, NITRATE ION, ...
Authors:Lama, D., Liberator, A., Frosi, Y., Nakhle, J., Tsomia, N., Bashir, T., Lane, D.P., Brown, C.J., Verma, C.S., Auvin, S., Yano, J.
Deposit date:2018-04-04
Release date:2019-02-20
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein.
Chem Sci, 10, 2019
5GW6
  • Download 5gw6
  • View 5gw6
Molmil generated image of 5gw6
WATER-BRIDGE MEDIATES RECOGNITION OF MRNA CAP IN EIF4E
Descriptor:Eukaryotic translation initiation factor 4E, GLYCEROL
Authors:Brown, C.J.
Deposit date:2016-09-08
Release date:2016-10-19
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Water-Bridge Mediates Recognition of mRNA Cap in eIF4E
Structure, 25, 2017
5XXK
  • Download 5xxk
  • View 5xxk
Molmil generated image of 5xxk
STRUCTURE-ACTIVITY STUDIES OF MDM2/MDM4-BINDING STAPLED PEPTIDES COMPRISING NON-NATURAL AMINO ACIDS
Descriptor:E3 ubiquitin-protein ligase Mdm2, Hydrocarbon stapled peptide THC-SER-PHE-0EH-GLU-TYR-6CW-ALA-LEU-LEU-MK8-NH2
Authors:Brown, C.J.
Deposit date:2017-07-04
Release date:2017-12-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure-activity studies of Mdm2/Mdm4-binding stapled peptides comprising non-natural amino acids.
PLoS ONE, 12, 2017
6AAW
  • Download 6aaw
  • View 6aaw
Molmil generated image of 6aaw
MDM2 IN COMPLEX WITH A D AMINO ACID CONTAINING STAPLED PEPTIDE
Descriptor:E3 ubiquitin-protein ligase Mdm2, ACE-LEU-THR-PHE-STQ-GLU-TYR-DTR-GLN-LEU-CBA-MK8-SER-ALA-ALA
Authors:Brown, C.J., Partridge, A.W.
Deposit date:2018-07-19
Release date:2019-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Model System to Explore Macrocyclic Peptide Structural and Chirality Relationships: Tolerance of helix-breaking residues within the context of a stapled peptide.
To Be Published
6ET4
  • Download 6et4
  • View 6et4
Molmil generated image of 6et4
HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR
Descriptor:Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Hakansson, M., Walse, B., Gustavsson, A.-L., Lain, S.
Deposit date:2017-10-25
Release date:2018-03-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage.
Nat Commun, 9, 2018
1PXM
  • Download 1pxm
  • View 1pxm
Molmil generated image of 1pxm
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
  • Download 1pxn
  • View 1pxn
Molmil generated image of 1pxn
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
<12>