Author results

1OKV
  • Download 1okv
  • View 1okv
Molmil generated image of 1okv
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
  • Download 1okw
  • View 1okw
Molmil generated image of 1okw
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
  • Download 1ol1
  • View 1ol1
Molmil generated image of 1ol1
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
  • Download 1ol2
  • View 1ol2
Molmil generated image of 1ol2
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
2C5N
  • Download 2c5n
  • View 2c5n
Molmil generated image of 2c5n
DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE
Authors:Kontopidis, G., McInnes, C., Pandalaneni, S.R., McNae, I., Gibson, D., Mezna, M., Thomas, M., Wood, G., Wang, S., Walkinshaw, M.D., Fischer, P.M.
Deposit date:2005-10-30
Release date:2006-03-01
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C5O
  • Download 2c5o
  • View 2c5o
Molmil generated image of 2c5o
DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE
Authors:Kontopidis, G., McInnes, C., Pandalaneni, S.R., McNae, I., Gibson, D., Mezna, M., Thomas, M., Wood, G., Wang, S., Walkinshaw, M.D., Fischer, P.M.
Deposit date:2005-10-30
Release date:2006-03-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C5V
  • Download 2c5v
  • View 2c5v
Molmil generated image of 2c5v
DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ALA-ALA-ABA-ARG-SER-LEU-ILE-PFF-NH2, ...
Authors:Kontopidis, G., McInnes, C., Pandalaneni, S.R., McNae, I., Gibson, D., Mezna, M., Thomas, M., Wood, G., Wang, S., Walkinshaw, M.D., Fischer, P.M.
Deposit date:2005-11-02
Release date:2006-03-01
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C5X
  • Download 2c5x
  • View 2c5x
Molmil generated image of 2c5x
DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
Authors:Kontopidis, G., Mcinnes, C., Pandalaneni, S.R., Mcnae, I., Gibson, D., Mezna, M., Thomas, M., Wood, G., Wang, S., Walkinshaw, M.D., Fischer, P.M.
Deposit date:2005-11-03
Release date:2006-03-01
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
2C5Y
  • Download 2c5y
  • View 2c5y
Molmil generated image of 2c5y
DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
Authors:Kontopidis, G., McInnes, C., Pandalaneni, S.R., McNae, I., Gibson, D., Mezna, M., Thomas, M., Wood, G., Wang, S., Walkinshaw, M.D., Fischer, P.M.
Deposit date:2005-11-03
Release date:2006-03-01
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
1GX8
  • Download 1gx8
  • View 1gx8
Molmil generated image of 1gx8
BOVINE BETA-LACTOGLOBULIN COMPLEXED WITH RETINOL, TRIGONAL LATTICE Z
Descriptor:BETA-LACTOGLOBULIN, RETINOL
Authors:Kontopidis, G., Sawyer, L.
Deposit date:2002-03-29
Release date:2002-06-13
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Ligand-Binding Site of Bovine Beta-Lactoglobulin: Evidence for a Function?
J.Mol.Biol., 318, 2002
1GX9
  • Download 1gx9
  • View 1gx9
Molmil generated image of 1gx9
BOVINE BETA-LACTOGLOBULIN COMPLEXED WITH RETINOIC ACID, TRIGONAL LATTICE Z
Descriptor:BETA-LACTOGLOBULIN, RETINOIC ACID
Authors:Kontopidis, G., Sawyer, L.
Deposit date:2002-03-29
Release date:2002-06-13
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The Ligand-Binding Site of Bovine Beta-Lactoglobulin: Evidence for a Function?
J.Mol.Biol., 318, 2002
1GXA
  • Download 1gxa
  • View 1gxa
Molmil generated image of 1gxa
BOVINE BETA-LACTOGLOBULIN COMPLEXED WITH RETINOL AND PALMITIC ACID, TRIGONAL LATTICE Z
Descriptor:BETA-LACTOGLOBULIN, PALMITIC ACID
Authors:Kontopidis, G., Sawyer, L.
Deposit date:2002-04-01
Release date:2002-06-13
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Ligand-Binding Site of Bovine Beta-Lactoglobulin: Evidence for a Function?
J.Mol.Biol., 318, 2002
1VYJ
  • Download 1vyj
  • View 1vyj
Molmil generated image of 1vyj
STRUCTURAL AND BIOCHEMICAL STUDIES OF HUMAN PCNA COMPLEXES PROVIDE THE BASIS FOR ASSOCIATION WITH CDK/CYCLIN AND RATIONALE FOR INHIBITOR DESIGN
Descriptor:PROLIFERATING CELL NUCLEAR ANTIGEN, SMALL PEPTIDE SAVLQKKITDYFHPKK
Authors:Kontopidis, G., Wu, S., Zheleva, D., Taylor, P., Mcinnes, C., Lane, D., Fischer, P., Walkinshaw, M.D.
Deposit date:2004-04-30
Release date:2005-01-13
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design
Proc.Natl.Acad.Sci.USA, 102, 2005
1VYM
  • Download 1vym
  • View 1vym
Molmil generated image of 1vym
NATIVE HUMAN PCNA
Descriptor:PROLIFERATING CELL NUCLEAR ANTIGEN
Authors:Kontopidis, G., Wu, S., Zheleva, D., Taylor, P., Mcinnes, C., Lane, D., Fischer, P., Walkinshaw, M.
Deposit date:2004-05-03
Release date:2005-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design
Proc.Natl.Acad.Sci.USA, 102, 2005
1W60
  • Download 1w60
  • View 1w60
Molmil generated image of 1w60
NATIVE HUMAN PCNA
Descriptor:PROLIFERATING CELL NUCLEAR ANTIGEN
Authors:Kontopidis, G., Wu, S., Zheleva, D., Taylor, P., Mcinnes, C., Lane, D., Fischer, P., Walkinshaw, M.
Deposit date:2004-08-11
Release date:2005-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design
Proc.Natl.Acad.Sci.USA, 102, 2005
1W8L
  • Download 1w8l
  • View 1w8l
Molmil generated image of 1w8l
ENZYMATIC AND STRUCTURAL CHARACTERIZATION OF NON PEPTIDE LIGAND CYCLOPHILIN COMPLEXES
Descriptor:PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, (3R)-1-ACETYL-3-METHYLPIPERIDINE
Authors:Kontopidis, G., Taylor, P., Walkinshaw, M.
Deposit date:2004-09-23
Release date:2004-09-30
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes
Acta Crystallogr.,Sect.D, 60, 2004
1W8M
  • Download 1w8m
  • View 1w8m
Molmil generated image of 1w8m
ENZYMATIC AND STRUCTURAL CHARACTERISATION OF NON PEPTIDE LIGAND CYCLOPHILIN COMPLEXES
Descriptor:PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A, ETHYL OXO(PIPERIDIN-1-YL)ACETATE
Authors:Kontopidis, G., Taylor, P., Walkinshaw, M.
Deposit date:2004-09-24
Release date:2004-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes
Acta Crystallogr.,Sect.D, 60, 2004
1W8V
  • Download 1w8v
  • View 1w8v
Molmil generated image of 1w8v
ENZYMATIC AND STRUCTURAL CHARACTERIZATION OF NON PEPTIDE LIGAND CYCLOPHILIN COMPLEXES
Descriptor:PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Kontopidis, G., Taylor, P., Walkinshaw, M.
Deposit date:2004-09-28
Release date:2004-09-30
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes
Acta Crystallogr.,Sect.D, 60, 2004
2WEV
  • Download 2wev
  • View 2wev
Molmil generated image of 2wev
TRUNCATION AND OPTIMISATION OF PEPTIDE INHIBITORS OF CDK2, CYCLIN A THROUGH STRUCTURE GUIDED DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ARG-ARG-B3L-MEA, ...
Authors:Kontopidis, G., Andrews, M.J., McInnes, C., Plater, A., Innes, L., Renachowski, S., Cowan, A., Fischer, P.M.
Deposit date:2009-04-01
Release date:2009-06-09
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Truncation and Optimisation of Peptide Inhibitors of Cyclin-Dependent Kinase 2-Cyclin a Through Structure-Guided Design.
Chemmedchem, 4, 2009
2WFY
  • Download 2wfy
  • View 2wfy
Molmil generated image of 2wfy
TRUNCATION AND OPTIMISATION OF PEPTIDE INHIBITORS OF CDK2, CYCLIN A THROUGH STRUCTURE GUIDED DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ARG-ARG-B3L-PHE
Authors:Kontopidis, G., Andrews, M.J., McInnes, C., Plater, A., Innes, L., Renachowski, S., Cowan, A., Fischer, P.M.
Deposit date:2009-04-15
Release date:2009-06-09
Last modified:2016-12-28
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Truncation and Optimisation of Peptide Inhibitors of Cyclin-Dependent Kinase 2-Cyclin a Through Structure-Guided Design.
Chemmedchem, 4, 2009
2WHB
  • Download 2whb
  • View 2whb
Molmil generated image of 2whb
TRUNCATION AND OPTIMISATION OF PEPTIDE INHIBITORS OF CDK2, CYCLIN A THROUGH STRUCTURE GUIDED DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ARG-ARG-L3O-PFF
Authors:Kontopidis, G., Andrews, M.J., McInnes, C., Plater, A., Innes, L., Renachowski, S., Cowan, A., Fischer, P.M.
Deposit date:2009-05-03
Release date:2009-06-09
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Truncation and optimisation of peptide inhibitors of cyclin-dependent kinase 2-cyclin a through structure-guided design.
Chemmedchem, 4, 2009
4CK4
  • Download 4ck4
  • View 4ck4
Molmil generated image of 4ck4
OVINE BETA-LACTOGLOBULIN AT ATOMIC RESOLUTION
Descriptor:BETA_LACTOGLOBULIN-1/B, SULFATE ION, AMMONIUM ION, ...
Authors:Kontopidis, G., Nordle, A., Sawyer, L.
Deposit date:2013-12-27
Release date:2014-10-08
Last modified:2015-05-27
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Ovine Beta-Lactoglobulin at Atomic Resolution
Acta Crystallogr.,Sect.F, 70, 2014
2X1N
  • Download 2x1n
  • View 2x1n
Molmil generated image of 2x1n
TRUNCATION AND OPTIMISATION OF PEPTIDE INHIBITORS OF CDK2, CYCLIN A THROUGH STRUCTURE GUIDED DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ACE-LEU-ASN-PFF-NH2, ...
Authors:Kontopidis, G., Andrews, M.J., McInnes, C., Plater, A., Innes, L., Renachowski, S., Cowan, A., Fischer, P.M., McIntyre, N.A., Griffiths, G., Barnett, A.L., Slawin, A.M.Z., Jackson, W., Thomas, M., Zheleva, D.I., Wang, S., Blake, D.G., Westwood, N.J.
Deposit date:2009-12-31
Release date:2010-02-16
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
1URC
  • Download 1urc
  • View 1urc
Molmil generated image of 1urc
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:2019-10-09
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
6GE7
  • Download 6ge7
  • View 6ge7
Molmil generated image of 6ge7
THERMODYNAMIC, CRYSTALLOGRAPHIC AND COMPUTATIONAL STUDIES OF NON MAMMALIAN FATTY ACID BINDING TO BOVINE B-LACTOGLOBULIN
Descriptor:Beta-lactoglobulin, nonadecanoic acid
Authors:Kontopidis, G., Rovoli, M.
Deposit date:2018-04-25
Release date:2018-06-20
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Int. J. Biol. Macromol., 118, 2018
<12>