2XKC
 
 | | 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
 | | 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
|
|
4A2N
 | | 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: | 2024-05-08 | | 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
|
|
4A4X
 | | 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 | | Last modified: | 2024-05-08 | | 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
|
|
2WQO
 | | 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: | 2024-05-08 | | 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
|
|
4B4Y
 | | crystal structure of the neuroglobin from the photosymbiotic marine acoel Symsagittifera roscoffensis | | Descriptor: | NEUROGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lechauve, C, Jager, M, Laguerre, L, Kiger, L, Correc, G, Leroux, C, Vinogradov, S, Czjzek, M, Marden, M.C, Bailly, X. | | Deposit date: | 2012-08-01 | | Release date: | 2013-01-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Neuroglobins: Pivotal Proteins Associated with Emerging Neural Systems and Precursors of Metazoan Globin Diversity.
J.Biol.Chem., 288, 2013
|
|
5OCQ
 | | Crystal structure of the complex of the kappa-carrageenase from Pseudoalteromonas carrageenovora with an oligotetrasaccharide of kappa-carrageenan | | Descriptor: | 3,6-anhydro-D-galactose, 4-O-sulfo-beta-D-galactopyranose, CITRIC ACID, ... | | Authors: | Czjzek, M, Leroux, C, Bernard, T, Matard-Mann, M, Jeudy, A, Michel, G. | | Deposit date: | 2017-07-03 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into marine carbohydrate degradation by family GH16 kappa-carrageenases.
J. Biol. Chem., 292, 2017
|
|
4FBN
 | | 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
 | | 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
|
|
6SGD
 | | Nek2 kinase covalently bound to 2-arylamino-6-ethynylpurine inhibitor 24 | | Descriptor: | 4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SODIUM ION, ... | | Authors: | Richards, M.W, Mas-Droux, C.P, Bayliss, R. | | Deposit date: | 2019-08-04 | | 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
|
|
6SGI
 | | Nek2 kinase bound to inhibitor 96 | | Descriptor: | 4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, 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 (2.3 Å) | | Cite: | 2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase.
Rsc Med Chem, 11, 2020
|
|
6SGH
 | |
6S75
 | | 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
|
|
6S76
 | | Crystal structure of human Nek7 | | Descriptor: | DI(HYDROXYETHYL)ETHER, 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 (3.38 Å) | | Cite: | Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine.
Biochem.J., 477, 2020
|
|
6S73
 | | 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
|
|
4EY0
 | | 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
|
|
1R8W
 | |
1R9D
 | | Glycerol bound form of the B12-independent glycerol dehydratase from Clostridium butyricum | | Descriptor: | GLYCEROL, glycerol dehydratase | | Authors: | Lanzilotta, W.N, O'Brien, J.R, Raynaud, C, Soucaille, P. | | Deposit date: | 2003-10-28 | | Release date: | 2004-06-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insight into the mechanism of the B12-independent glycerol dehydratase from Clostridium butyricum: preliminary biochemical and structural characterization.
Biochemistry, 43, 2004
|
|
4AFE
 | | Nek2 bound to hybrid compound 21 | | Descriptor: | 1,2-ETHANEDIOL, 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, SERINE/THREONINE-PROTEIN KINASE NEK2 | | Authors: | Yeoh, S, Innocenti, P, Hoelder, S, Bayliss, R. | | Deposit date: | 2012-01-19 | | Release date: | 2012-04-25 | | Last modified: | 2023-12-20 | | 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
|
|
4XJQ
 | | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dirr, L, El-Deeb, I, Guillon, P, Carroux, C, Chavas, L, von Itzstein, M. | | Deposit date: | 2015-01-08 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed.
Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
4XJR
 | | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed | | Descriptor: | (6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dirr, L, El-Deeb, I, Guillon, P, Carroux, C, Chavas, L, von Itzstein, M. | | Deposit date: | 2015-01-08 | | Release date: | 2015-02-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed.
Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
5MQ8
 | | Crystal structure of Rae1 (YacP) from Bacillus subtilis | | Descriptor: | GLYCEROL, Uncharacterized protein YacP | | Authors: | Piton, J, Gilet, L, Pellegrini, O, Leroy, M, Figaro, S, Condon, C. | | Deposit date: | 2016-12-20 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Rae1/YacP, a new endoribonuclease involved in ribosome-dependent mRNA decay in Bacillus subtilis.
EMBO J., 36, 2017
|
|
3ZJK
 | | crystal structure of Ttb-gly F401S mutant | | Descriptor: | BETA GLYCOSIDASE, CHLORIDE ION, GLYCEROL | | Authors: | Teze, D, Tran, V, Tellier, C, Dion, M, Leroux, C, Roncza, J, Czjzek, M. | | Deposit date: | 2013-01-18 | | Release date: | 2013-02-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Semi-Rational Approach for Converting a Gh1 Beta-Glycosidase Into a Beta-Transglycosidase.
Protein Eng.Des.Sel., 27, 2014
|
|
5MQ9
 | | Crystal structure of Rae1 (YacP) from Bacillus subtilis (W164L mutant) | | Descriptor: | SULFATE ION, Uncharacterized protein YacP | | Authors: | Piton, J, Gilet, L, Pellegrini, O, Leroy, M, Figaro, S, Condon, C. | | Deposit date: | 2016-12-20 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.174 Å) | | Cite: | Rae1/YacP, a new endoribonuclease involved in ribosome-dependent mRNA decay in Bacillus subtilis.
EMBO J., 36, 2017
|
|
2WQM
 | | Structure of apo human Nek7 | | Descriptor: | NICKEL (II) ION, SERINE/THREONINE-PROTEIN KINASE NEK7, SULFATE ION | | Authors: | Richards, M.W, Bayliss, R. | | Deposit date: | 2009-08-24 | | Release date: | 2009-12-08 | | Last modified: | 2023-12-20 | | 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
|
|
