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2C2B
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CRYSTALLOGRAPHIC STRUCTURE OF ARABIDOPSIS THALIANA THREONINE SYNTHASE COMPLEXED WITH PYRIDOXAL PHOSPHATE AND S-ADENOSYLMETHIONINE
Descriptor:THREONINE SYNTHASE 1, CHLOROPLASTIC, S-ADENOSYLMETHIONINE, ...
Authors:Mas-Droux, C., Biou, V., Dumas, R.
Deposit date:2005-09-27
Release date:2005-11-28
Last modified:2015-11-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric Threonine Synthase: Reorganization of the Pyridoxal Phosphate Site Upon Asymmetric Activation Through S-Adenosylmethionine Binding to a Novel Site.
J.Biol.Chem., 281, 2006
2C2G
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CRYSTAL STRUCTURE OF THREONINE SYNTHASE FROM ARABIDOPSIS THALIANA IN COMPLEX WITH ITS COFACTOR PYRIDOXAL PHOSPHATE
Descriptor:THREONINE SYNTHASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Mas-Droux, C., Biou, V., Dumas, R.
Deposit date:2005-09-29
Release date:2005-11-28
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Allosteric Threonine Synthase: Reorganization of the Pyridoxal Phosphate Site Upon Asymmetric Activation Through S-Adenosylmethionine Binding to a Novel Site.
J.Biol.Chem., 281, 2006
2CDQ
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CRYSTAL STRUCTURE OF ARABIDOPSIS THALIANA ASPARTATE KINASE COMPLEXED WITH LYSINE AND S- ADENOSYLMETHIONINE
Descriptor:ASPARTOKINASE, LYSINE, D(-)-TARTARIC ACID, ...
Authors:Mas-Droux, C., Curien, G., Robert-Genthon, M., Laurencin, M., Ferrer, J.L., Dumas, R.
Deposit date:2006-01-26
Release date:2006-05-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A Novel Organization of Act Domains in Allosteric Enzymes Revealed by the Crystal Structure of Arabidopsis Aspartate Kinase
Plant Cell, 18, 2006
2XK3
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STRUCTURE OF NEK2 BOUND TO AMINOPYRAZINE COMPOUND 35
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID, CHLORIDE ION
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XK4
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STRUCTURE OF NEK2 BOUND TO AMINOPYRAZINE COMPOUND 17
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid, CHLORIDE ION
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XK6
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STRUCTURE OF NEK2 BOUND TO AMINOPYRAZINE COMPOUND 36
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid, CHLORIDE ION
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XK7
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STRUCTURE OF NEK2 BOUND TO AMINOPYRAZINE COMPOUND 23
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, (3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid, CHLORIDE ION
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XK8
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STRUCTURE OF NEK2 BOUND TO AMINOPYRAZINE COMPOUND 15
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid, CHLORIDE ION
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XKC
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STRUCTURE OF NEK2 BOUND TO AMINOPYRAZINE COMPOUND 14
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid, CHLORIDE ION
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XKD
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STRUCTURE OF NEK2 BOUND TO AMINOPYRAZINE COMPOUND 12
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid, CHLORIDE ION
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XKE
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STRUCTURE OF NEK2 BOUND TO AMINIPYRAZINE COMPOUND 5
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid, CHLORIDE ION
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-07-07
Release date:2010-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XKF
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STRUCTURE OF NEK2 BOUND TO AMINOPYRAZINE COMPOUND 2
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid, CHLORIDE ION
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
2XNM
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STRUCTURE OF NEK2 BOUND TO CCT
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 5-{6-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-3-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}THIOPHENE-2-CARBOXAMIDE, 1,2-ETHANEDIOL, ...
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-08-05
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.
J.Med.Chem., 54, 2011
2XNN
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STRUCTURE OF NEK2 BOUND TO CCT242430
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 5-(1H-benzimidazol-1-yl)-3-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}thiophene-2-carboxamide, CHLORIDE ION, ...
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-08-05
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.
J.Med.Chem., 54, 2011
2XNO
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STRUCTURE OF NEK2 BOUND TO CCT243779
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide, CHLORIDE ION, ...
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-08-05
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.
J.Med.Chem., 54, 2011
2XNP
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STRUCTURE OF NEK2 BOUND TO CCT244858
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 4-{5-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE, CHLORIDE ION, ...
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2010-08-05
Release date:2011-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.
J.Med.Chem., 54, 2011
2WQO
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STRUCTURE OF NEK2 BOUND TO THE AMINOPYRIDINE CCT241950
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 4-[2-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]BENZOIC ACID, CHLORIDE ION
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2009-08-24
Release date:2009-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.167 Å)
Cite:An Autoinhibitory Tyrosine Motif in the Cell-Cycle- Regulated Nek7 Kinase is Released Through Binding of Nek9.
Mol.Cell, 36, 2009
4A4X
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NEK2-EDE BOUND TO CCT248662
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE
Authors:Mas-Droux, C., Bayliss, R.
Deposit date:2011-10-20
Release date:2012-04-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity.
J.Med.Chem., 55, 2012
4A2N
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CRYSTAL STRUCTURE OF MA-ICMT
Descriptor:ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE, PALMITIC ACID, ...
Authors:Yang, J., Kulkarni, K., Manolaridis, I., Zhang, Z., Dodd, R.B., Mas-Droux, C., Barford, D.
Deposit date:2011-09-27
Release date:2012-01-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Mechanism of Isoprenylcysteine Carboxyl Methylation from the Crystal Structure of the Integral Membrane Methyltransferase Icmt.
Mol.Cell, 44, 2011
4EY0
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STRUCTURE OF TANDEM SH2 DOMAINS FROM PLCGAMMA1
Descriptor:1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1
Authors:Cole, A.R., Mas-Droux, C.P., Bunney, T.D., Katan, M.
Deposit date:2012-05-01
Release date:2012-10-31
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Functional Integration of the PLCgamma Interaction Domains Critical for Regulatory Mechanisms and Signaling Deregulation.
Structure, 20, 2012
4FBN
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INSIGHTS INTO STRUCTURAL INTEGRATION OF THE PLCGAMMA REGULATORY REGION AND MECHANISM OF AUTOINHIBITION AND ACTIVATION BASED ON KEY ROLES OF SH2 DOMAINS
Descriptor:1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1
Authors:Cole, A.R., Mas-Droux, C.P., Bunney, T.D., Katan, M.
Deposit date:2012-05-23
Release date:2012-10-31
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Functional Integration of the PLCgamma Interaction Domains Critical for Regulatory Mechanisms and Signaling Deregulation.
Structure, 20, 2012
2WQM
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STRUCTURE OF APO HUMAN NEK7
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK7, SULFATE ION, NICKEL (II) ION
Authors:Richards, M.W., Bayliss, R.
Deposit date:2009-08-24
Release date:2009-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Auto-Inhibitory Tyrosine Motif in the Cell-Cycle Regulated Nek7 Kinase is Released Through Binding of Nek9
Mol.Cell, 36, 2009
2WQN
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STRUCTURE OF ADP-BOUND HUMAN NEK7
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK7, ADENOSINE-5'-DIPHOSPHATE, NICKEL (II) ION, ...
Authors:Richards, M.W., Bayliss, R.
Deposit date:2009-08-24
Release date:2009-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An Autoinhibitory Tyrosine Motif in the Cell-Cycle- Regulated Nek7 Kinase is Released Through Binding of Nek9.
Mol.Cell, 36, 2009
4AFE
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NEK2 BOUND TO HYBRID COMPOUND 21
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK2, 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE, 1,2-ETHANEDIOL
Authors:Yeoh, S., Innocenti, P., Hoelder, S., Bayliss, R.
Deposit date:2012-01-19
Release date:2012-04-25
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity.
J.Med.Chem., 55, 2012