Author results

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
6GF9
  • Download 6gf9
  • View 6gf9
Molmil generated image of 6gf9
THERMODYNAMIC, CRYSTALLOGRAPHIC AND COMPUTATIONAL STUDIES OF NON MAMMALIAN FATTY ACID BINDING TO BOVINE B-LACTOGLOBULIN
Descriptor:Beta-lactoglobulin, heptadecanoic acid
Authors:Kontopidis, G., Rovoli, M.
Deposit date:2018-04-29
Release date:2018-06-20
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Int. J. Biol. Macromol., 118, 2018
6GFS
  • Download 6gfs
  • View 6gfs
Molmil generated image of 6gfs
THERMODYNAMIC, CRYSTALLOGRAPHIC AND COMPUTATIONAL STUDIES OF NON MAMMALIAN FATTY ACID BINDING TO BOVINE B-LACTOGLOBULIN
Descriptor:Beta-lactoglobulin, PENTADECANOIC ACID, CHLORIDE ION
Authors:Kontopidis, G., Rovoli, M.
Deposit date:2018-05-02
Release date:2018-06-20
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Int. J. Biol. Macromol., 118, 2018
6GHH
  • Download 6ghh
  • View 6ghh
Molmil generated image of 6ghh
THERMODYNAMIC, CRYSTALLOGRAPHIC AND COMPUTATIONAL STUDIES OF NON MAMMALIAN FATTY ACID BINDING TO BOVINE B-LACTOGLOBULIN
Descriptor:Beta-lactoglobulin, N-TRIDECANOIC ACID
Authors:Kontopidis, G., Rovoli, M.
Deposit date:2018-05-07
Release date:2018-06-20
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Int. J. Biol. Macromol., 118, 2018
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
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
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
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:2017-02-08
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
2V22
  • Download 2v22
  • View 2v22
Molmil generated image of 2v22
REPLACE: A STRATEGY FOR ITERATIVE DESIGN OF CYCLIN BINDING GROOVE INHIBITORS
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE
Authors:Andrews, M.J., Kontopidis, G., McInnes, C., Plater, A., Innes, L., Cowan, A., Jewsbury, P., Fischer, P.M.
Deposit date:2007-05-31
Release date:2008-01-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
2UUE
  • Download 2uue
  • View 2uue
Molmil generated image of 2uue
REPLACE: A STRATEGY FOR ITERATIVE DESIGN OF CYCLIN BINDING GROOVE INHIBITORS
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, GVC-TETRAPEPTIDE INHIBITOR, ...
Authors:Andrews, M.J., Kontopidis, G., McInnes, C., Plater, A., Innes, L., Cowan, A., Jewsbury, P., Fischer, P.M.
Deposit date:2007-03-02
Release date:2007-03-27
Last modified:2012-09-05
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
2CLX
  • Download 2clx
  • View 2clx
Molmil generated image of 2clx
4-ARYLAZO-3,5-DIAMINO-1H-PYRAZOLE CDK INHIBITORS: SAR STUDY, CRYSTAL STRUCTURE IN COMPLEX WITH CDK2, SELECTIVITY, AND CELLULAR EFFECTS
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL
Authors:Krystof, V., Cankar, P., Frysova, I., Slouka, J., Kontopidis, G., Dzubak, P., Hajduch, M., Deazevedo, W.F., Paprskarova, M., Orsag, M., Rolcik, J., Latr, A., Fischer, P.M., Strnad, M.
Deposit date:2006-05-02
Release date:2006-11-01
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:4-Arylazo-3,5-Diamino-1H-Pyrazole Cdk Inhibitors: Sar Study, Crystal Structure in Complex with Cdk2, Selectivity, and Cellular Effects
J.Med.Chem., 49, 2006
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: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
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:2011-07-13
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
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:2011-07-13
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:2018-03-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enzymatic and Structural Characterization of Non-Peptide Ligand-Cyclophilin Complexes
Acta Crystallogr.,Sect.D, 60, 2004
<12>