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2C2B
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BU of 2c2b by Molmil
Crystallographic structure of Arabidopsis thaliana Threonine synthase complexed with pyridoxal phosphate and S-adenosylmethionine
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYRIDOXAL-5'-PHOSPHATE, S-ADENOSYLMETHIONINE, ...
Authors:Mas-Droux, C, Biou, V, Dumas, R.
Deposit date:2005-09-27
Release date:2005-11-28
Last modified:2023-12-13
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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BU of 2c2g by Molmil
Crystal structure of Threonine Synthase from Arabidopsis thaliana in complex with its cofactor pyridoxal phosphate
Descriptor: PYRIDOXAL-5'-PHOSPHATE, THREONINE SYNTHASE
Authors:Mas-Droux, C, Biou, V, Dumas, R.
Deposit date:2005-09-29
Release date:2005-11-28
Last modified:2023-12-13
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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BU of 2cdq by Molmil
Crystal structure of Arabidopsis thaliana aspartate kinase complexed with lysine and S- adenosylmethionine
Descriptor: ASPARTOKINASE, D(-)-TARTARIC ACID, LYSINE, ...
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
4A4X
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BU of 4a4x by Molmil
NEK2-EDE bound to CCT248662
Descriptor: 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2
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
2XNM
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BU of 2xnm by Molmil
Structure of NEK2 bound to CCT
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-{6-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-3-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}THIOPHENE-2-CARBOXAMIDE, ...
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
2XK8
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BU of 2xk8 by Molmil
Structure of Nek2 bound to aminopyrazine compound 15
Descriptor: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
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
2XK7
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BU of 2xk7 by Molmil
Structure of Nek2 bound to aminopyrazine compound 23
Descriptor: (3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
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
2XKC
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BU of 2xkc by Molmil
Structure of Nek2 bound to aminopyrazine compound 14
Descriptor: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
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
2XNN
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BU of 2xnn by Molmil
Structure of Nek2 bound to CCT242430
Descriptor: 1,2-ETHANEDIOL, 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:2023-12-20
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
2XKE
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BU of 2xke by Molmil
Structure of Nek2 bound to Aminipyrazine Compound 5
Descriptor: 1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-11-03
Last modified:2023-12-20
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
2XNO
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BU of 2xno by Molmil
Structure of Nek2 bound to CCT243779
Descriptor: 1,2-ETHANEDIOL, 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:2023-12-20
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
2XKD
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BU of 2xkd by Molmil
Structure of Nek2 bound to aminopyrazine compound 12
Descriptor: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
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
2XK6
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BU of 2xk6 by Molmil
Structure of Nek2 bound to aminopyrazine compound 36
Descriptor: CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2, cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
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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BU of 2xk4 by Molmil
Structure of Nek2 bound to aminopyrazine compound 17
Descriptor: 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
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
2XK3
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BU of 2xk3 by Molmil
Structure of Nek2 bound to Aminopyrazine compound 35
Descriptor: 4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
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
2XKF
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BU of 2xkf by Molmil
Structure of Nek2 bound to aminopyrazine compound 2
Descriptor: 1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Mas-Droux, C, Bayliss, R.
Deposit date:2010-07-07
Release date:2010-10-27
Last modified:2023-12-20
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
2XNP
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BU of 2xnp by Molmil
Structure of Nek2 bound to CCT244858
Descriptor: 1,2-ETHANEDIOL, 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:2023-12-20
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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BU of 2wqo by Molmil
STRUCTURE OF NEK2 BOUND TO THE AMINOPYRIDINE CCT241950
Descriptor: 4-[2-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]BENZOIC ACID, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2
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
6SK9
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BU of 6sk9 by Molmil
Nek2 bound to purine compound 51
Descriptor: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, GLYCEROL, Serine/threonine-protein kinase Nek2
Authors:Bayliss, R, Byrne, M.J, Mas-Droux, C.
Deposit date:2019-08-15
Release date:2020-06-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
4A2N
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BU of 4a2n by Molmil
Crystal Structure of Ma-ICMT
Descriptor: CARDIOLIPIN, ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE, 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
6S73
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BU of 6s73 by Molmil
Crystal structure of Nek7 SRS mutant bound to compound 51
Descriptor: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7
Authors:Nasir, N, Byrne, M.J, Bhatia, C, Bayliss, R.
Deposit date:2019-07-04
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
6S75
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BU of 6s75 by Molmil
Crystal structure of Nek7 bound to compound 51
Descriptor: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, Serine/threonine-protein kinase Nek7
Authors:Nasir, N, Bayliss, R.
Deposit date:2019-07-04
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
4EY0
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BU of 4ey0 by Molmil
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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BU of 4fbn by Molmil
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:2024-02-28
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
6SGK
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BU of 6sgk by Molmil
Nek2 kinase bound to inhibitor 102
Descriptor: 2-phenylazanyl-9~{H}-purine-6-carbonitrile, Serine/threonine-protein kinase Nek2
Authors:Richards, M.W, Mas-Droux, C.P, Bayliss, R.
Deposit date:2019-08-05
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase.
Rsc Med Chem, 11, 2020

 

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