Author results

4EOI
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THR 160 PHOSPHORYLATED CDK2 K89D, Q131E - HUMAN CYCLIN A3 COMPLEX WITH THE INHIBITOR RO3306
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, ...
Authors:Echalier, A., Cot, E., Camasses, A., Hodimont, E., Hoh, F., Sheinerman, F., Krasinska, L., Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOJ
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THR 160 PHOSPHORYLATED CDK2 H84S, Q85M, K89D - HUMAN CYCLIN A3 COMPLEX WITH ATP
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Echalier, A., Cot, E., Camasses, A., Hodimont, E., Hoh, F., Sheinerman, F., Krasinska, L., Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOK
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THR 160 PHOSPHORYLATED CDK2 H84S, Q85M, K89D - HUMAN CYCLIN A3 COMPLEX WITH THE INHIBITOR NU6102
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE, ...
Authors:Echalier, A., Cot, E., Camasses, A., Hodimont, E., Hoh, F., Sheinerman, F., Krasinska, L., Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOL
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THR 160 PHOSPHORYLATED CDK2 H84S, Q85M, K89D - HUMAN CYCLIN A3 COMPLEX WITH THE INHIBITOR RO3306
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, ...
Authors:Echalier, A., Cot, E., Camasses, A., Hodimont, E., Hoh, F., Sheinerman, F., Krasinska, L., Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOM
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THR 160 PHOSPHORYLATED CDK2 H84S, Q85M, Q131E - HUMAN CYCLIN A3 COMPLEX WITH ATP
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Echalier, A., Cot, E., Camasses, A., Hodimont, E., Hoh, F., Sheinerman, F., Krasinska, L., Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EON
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THR 160 PHOSPHORYLATED CDK2 H84S, Q85M, Q131E - HUMAN CYCLIN A3 COMPLEX WITH THE INHIBITOR RO3306
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, ...
Authors:Echalier, A., Cot, E., Camasses, A., Hodimont, E., Hoh, F., Sheinerman, F., Krasinska, L., Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOO
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THR 160 PHOSPHORYLATED CDK2 Q131E - HUMAN CYCLIN A3 COMPLEX WITH ATP
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, MAGNESIUM ION, ...
Authors:Echalier, A., Cot, E., Camasses, A., Hodimont, E., Hoh, F., Sheinerman, F., Krasinska, L., Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOP
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THR 160 PHOSPHORYLATED CDK2 Q131E - HUMAN CYCLIN A3 COMPLEX WITH THE INHIBITOR RO3306
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, ...
Authors:Echalier, A., Cot, E., Camasses, A., Hodimont, E., Hoh, F., Sheinerman, F., Krasinska, L., Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOQ
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THR 160 PHOSPHORYLATED CDK2 WT - HUMAN CYCLIN A3 COMPLEX WITH ATP
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Echalier, A., Cot, E., Camasses, A., Hodimont, E., Hoh, F., Sheinerman, F., Krasinska, L., Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOR
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THR 160 PHOSPHORYLATED CDK2 WT - HUMAN CYCLIN A3 COMPLEX WITH THE INHIBITOR NU6102
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
Authors:Echalier, A., Cot, E., Camasses, A., Hodimont, E., Hoh, F., Sheinerman, F., Krasinska, L., Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOS
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THR 160 PHOSPHORYLATED CDK2 WT - HUMAN CYCLIN A3 COMPLEX WITH THE INHIBITOR RO3306
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
Authors:Echalier, A., Cot, E., Camasses, A., Hodimont, E., Hoh, F., Sheinerman, F., Krasinska, L., Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
1TP9
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PRX D (TYPE II) FROM POPULUS TREMULA
Descriptor:peroxiredoxin, SULFATE ION
Authors:Echalier, A., Trivelli, X., Corbier, C., Rouhier, N., Walker, O., Tsan, P., Jacquot, J.P., Krimm, I., Lancelin, J.M.
Deposit date:2004-06-16
Release date:2005-04-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure and solution NMR dynamics of a D (type II) peroxiredoxin glutaredoxin and thioredoxin dependent: a new insight into the peroxiredoxin oligomerism
Biochemistry, 44, 2005
2C1U
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CRYSTAL STRUCTURE OF THE DI-HAEM CYTOCHROME C PEROXIDASE FROM PARACOCCUS PANTOTROPHUS - OXIDISED FORM
Descriptor:DI-HAEM CYTOCHROME C PEROXIDASE, HEME C, CALCIUM ION
Authors:Echalier, A., Fulop, V.
Deposit date:2005-09-21
Release date:2006-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Activation and Catalysis of the Di-Heme Cytochrome C Peroxidase from Paracoccus Pantotrophus
Structure, 14, 2006
2C1V
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CRYSTAL STRUCTURE OF THE DI-HAEM CYTOCHROME C PEROXIDASE FROM PARACOCCUS PANTOTROPHUS - MIXED VALENCE FORM
Descriptor:DI-HAEM CYTOCHROME C PEROXIDASE, HEME C, CALCIUM ION, ...
Authors:Echalier, A., Fulop, V.
Deposit date:2005-09-21
Release date:2006-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Activation and Catalysis of the Di-Heme Cytochrome C Peroxidase from Paracoccus Pantotrophus
Structure, 14, 2006
2VHD
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CRYSTAL STRUCTURE OF THE DI-HAEM CYTOCHROME C PEROXIDASE FROM PSEUDOMONAS AERUGINOSA - MIXED VALENCE FORM
Descriptor:CYTOCHROME C551 PEROXIDASE, HEME C, CALCIUM ION
Authors:Echalier, A., Brittain, T., Wright, J., Boycheva, S., Mortuza, G.B., Fulop, V., Watmough, N.J.
Deposit date:2007-11-20
Release date:2008-02-12
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Redox-Linked Structural Changes Associated with the Formation of a Catalytically Competent Form of the Diheme Cytochrome C Peroxidase from Pseudomonas Aeruginosa
Biochemistry, 47, 2008
4F7O
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CRYSTAL STRUCTURE OF CSN5
Descriptor:COP9 signalosome complex subunit 5, ZINC ION, THIOCYANATE ION
Authors:Echalier, A., Birol, M., Hoh, F., Dumas, C.
Deposit date:2012-05-16
Release date:2013-01-23
Last modified:2013-02-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insights into the regulation of the human COP9 signalosome catalytic subunit, CSN5/Jab1.
Proc.Natl.Acad.Sci.USA, 110, 2013
2G9X
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STRUCTURE OF THR 160 PHOSPHORYLATED CDK2/CYCLIN A IN COMPLEX WITH THE INHIBITOR NU6271
Descriptor:Cell division protein kinase 2, Cyclin-A2, 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL
Authors:Echalier, A., Endicott, J.A., Noble, M.E.
Deposit date:2006-03-07
Release date:2006-05-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Searching for Cyclin-Dependent Kinase Inhibitors Using a New Variant of the Cope Elimination.
J.Am.Chem.Soc., 128, 2006
3BHT
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STRUCTURE OF PHOSPHORYLATED THR160 CDK2/CYCLIN A IN COMPLEX WITH THE INHIBITOR MERIOLIN 3
Descriptor:Cell division protein kinase 2, Cyclin-A2, 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, ...
Authors:Echalier, A., Bettayeb, K., Ferandin, Y., Lozach, O., Clement, M., Valette, A., Liger, F., Marquet, B., Morris, J.C., Endicott, J.A., Joseph, B., Meijer, L.
Deposit date:2007-11-29
Release date:2008-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
3BHU
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STRUCTURE OF PHOSPHORYLATED THR160 CDK2/CYCLIN A IN COMPLEX WITH THE INHIBITOR MERIOLIN 5
Descriptor:Cell division protein kinase 2, Cyclin-A2, 4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, ...
Authors:Echalier, A., Bettayeb, K., Ferandin, Y., Lozach, O., Clement, M., Valette, A., Liger, F., Marquet, B., Morris, J.C., Endicott, J.A., Joseph, B., Meijer, L.
Deposit date:2007-11-29
Release date:2008-02-12
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
3BHV
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STRUCTURE OF PHOSPHORYLATED THR160 CDK2/CYCLIN A IN COMPLEX WITH THE INHIBITOR VARIOLIN B
Descriptor:Cell division protein kinase 2, Cyclin-A2, 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, ...
Authors:Echalier, A., Bettayeb, K., Ferandin, Y., Lozach, O., Clement, M., Valette, A., Liger, F., Marquet, B., Morris, J.C., Endicott, J.A., Joseph, B., Meijer, L.
Deposit date:2007-11-29
Release date:2008-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
3DDP
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STRUCTURE OF PHOSPHORYLATED THR160 CDK2/CYCLIN A IN COMPLEX WITH THE INHIBITOR CR8
Descriptor:Cell division protein kinase 2, Cyclin-A2, (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
Authors:Echalier, A., Endicott, J.A.
Deposit date:2008-06-06
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
3DDQ
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STRUCTURE OF PHOSPHORYLATED THR160 CDK2/CYCLIN A IN COMPLEX WITH THE INHIBITOR ROSCOVITINE
Descriptor:Cell division protein kinase 2, Cyclin-A2, R-ROSCOVITINE, ...
Authors:Echalier, A., Endicott, J.A.
Deposit date:2008-06-06
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
3DOG
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STRUCTURE OF THR 160 PHOSPHORYLATED CDK2/CYCLIN A IN COMPLEX WITH THE INHIBITOR N-&-N1
Descriptor:Cell division protein kinase 2, Cyclin-A2, (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol, ...
Authors:Echalier, A., Endicott, J.
Deposit date:2008-07-04
Release date:2008-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:N-&-N, a new class of cell death-inducing kinase inhibitors derived from the purine roscovitine.
Mol.Cancer Ther., 7, 2008
5LMK
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STRUCTURE OF PHOPSHO-CDK2-CYCLIN A IN COMPLEX WITH AN ATP-COMPETITIVE INHIBITOR
Descriptor:Cyclin-dependent kinase 2, Cyclin-A2, 4-[4-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide, ...
Authors:Echalier, A.
Deposit date:2016-08-01
Release date:2017-01-25
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.
Eur J Med Chem, 126, 2016
2PML
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CRYSTAL STRUCTURE OF PFPK7 IN COMPLEX WITH AN ATP ANALOGUE
Descriptor:Ser/Thr protein kinase, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Merckx, A., Echalier, A., Noble, M., Endicott, J.
Deposit date:2007-04-23
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of PfPK7 an atypical protein kinase from P. falciparum identify a novel activation motif and leads for inhibitor design
To be Published
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