1NW1
 
 | | Crystal Structure of Choline Kinase | | Descriptor: | CALCIUM ION, Choline kinase (49.2 kD) | | Authors: | Peisach, D, Gee, P, Kent, C, Xu, Z. | | Deposit date: | 2003-02-05 | | Release date: | 2003-06-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | The Crystal Structure of Choline Kinase Reveals a Eukaryotic Protein Kinase Fold
Structure, 11, 2003
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2I7Q
 | | Crystal structure of Human Choline Kinase A | | Descriptor: | CHLORIDE ION, Choline kinase alpha, UNKNOWN ATOM OR ION | | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Wasney, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-08-31 | | Release date: | 2006-09-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Human Choline Kinase A
To be Published
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2CKP
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2CKO
 | | Crystal structure of Human Choline Kinase alpha 2 | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHOLINE KINASE ALPHA | | Authors: | Malito, E, Lavie, A. | | Deposit date: | 2006-04-20 | | Release date: | 2006-10-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Elucidation of Human Choline Kinase Crystal Structures in Complex with the Products Adp or Phosphocholine.
J.Mol.Biol., 364, 2006
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2CKQ
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2IG7
 | | Crystal structure of Human Choline Kinase B | | Descriptor: | Choline/ethanolamine kinase, UNKNOWN ATOM OR ION | | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Wasney, G, Landry, R, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-09-22 | | Release date: | 2006-10-10 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of Human Choline Kinase B
To be Published
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2QG7
 | | Plasmodium vivax ethanolamine kinase Pv091845 | | Descriptor: | SULFATE ION, ethanolamine kinase Pv091845 | | Authors: | Lunin, V.V, Wernimont, A.K, Mulichak, A, Lew, J, Wasney, G, Senisterra, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Hills, T, Artz, J, Xiao, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-28 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.407 Å) | | Cite: | Plasmodium vivax ethanolamine kinase Pv091845
TO BE PUBLISHED
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3C5I
 | | Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520 | | Descriptor: | CALCIUM ION, CHOLINE ION, Choline kinase, ... | | Authors: | Wernimont, A.K, Hills, T, Lew, J, Wasney, G, Senesterra, G, Kozieradzki, I, Cossar, D, Vedadi, M, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-01-31 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520.
To be Published
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3DXQ
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3F2R
 | | Crystal structure of human choline kinase alpha in complex with hemicholinium-3 | | Descriptor: | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), Choline kinase alpha, UNKNOWN ATOM OR ION | | Authors: | Hong, B, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-10-30 | | Release date: | 2008-11-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of human choline kinase alpha in complex with hemicholinium-3
To be Published
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3FEG
 | | Crystal structure of human choline kinase beta in complex with phosphorylated hemicholinium-3 and adenosine nucleotide | | Descriptor: | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Hong, B.S, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-11-29 | | Release date: | 2008-12-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.302 Å) | | Cite: | Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
J.Biol.Chem., 285, 2010
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3FI8
 | | Crystal structure of choline kinase from Plasmodium Falciparum, PF14_0020 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Choline kinase, MAGNESIUM ION, ... | | Authors: | Wernimont, A.K, Pizarro, J.C, Artz, J.D, Amaya, M.F, Xiao, T, Lew, J, Wasney, G, Senesterra, G, Kozieradzki, I, Cossar, D, Vedadi, M, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-12-11 | | Release date: | 2009-02-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of choline kinase from Plasmodium Falciparum, PF14_0020
TO BE PUBLISHED
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3G15
 | | Crystal structure of human choline kinase alpha in complex with hemicholinium-3 and ADP | | Descriptor: | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), ADENOSINE-5'-DIPHOSPHATE, Choline kinase alpha, ... | | Authors: | Hong, B.S, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-01-29 | | Release date: | 2009-02-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
J.Biol.Chem., 285, 2010
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3MES
 | | Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Choline kinase, DECAMETHONIUM ION, ... | | Authors: | Qiu, W, Wernimont, A, Hills, T, Lew, J, Artz, J.D, Xiao, T, Allali-Hassani, A, Vedadi, M, Kozieradzki, I, Cossar, D, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Hui, R, Ma, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-31 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
TO BE PUBLISHED
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3LQ3
 | | Crystal structure of human choline kinase beta in complex with phosphorylated hemicholinium-3 and adenosine nucleotide | | Descriptor: | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Hong, B.S, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-02-08 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
J.Biol.Chem., 285, 2010
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3ZM9
 | | The mechanism of allosteric coupling in choline kinase a1 revealed by a rationally designed inhibitor | | Descriptor: | 1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium, CHOLINE KINASE ALPHA | | Authors: | Sahun-Roncero, M, Rubio-Ruiz, B, Saladino, G, Conejo-Garcia, A, Espinosa, A, Velazquez-Campoy, A, Gervasio, F.L, Entrena, A, Hurtado-Guerrero, R. | | Deposit date: | 2013-02-06 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Mechanism of Allosteric Coupling in Choline Kinase A1 Revealed by a Rationally Designed Inhibitor
Angew.Chem.Int.Ed.Engl., 52, 2013
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4DA5
 | | Choline Kinase alpha acts through a double-displacement kinetic mechanism involving enzyme isomerisation, as determined through enzyme and inhibitor kinetics and structural biology | | Descriptor: | (3R)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol, Choline kinase alpha, SULFATE ION | | Authors: | Brown, K, Hudson, C, Charlton, P, Pollard, J. | | Deposit date: | 2012-01-12 | | Release date: | 2013-04-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Kinetic and mechanistic characterisation of Choline Kinase-alpha.
Biochim.Biophys.Acta, 1834, 2013
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4BR3
 | | Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies | | Descriptor: | 1-((4'-((6-amino-3H-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium, 3-benzyladenine, CHOLINE KINASE ALPHA, ... | | Authors: | Sahun-Roncero, M, Rubio-Ruiz, B, Conejo-Garcia, A, Velazquez-Campoy, A, Entrena, A, Hurtado-Guerrero, R. | | Deposit date: | 2013-06-03 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Determination of Potential Scaffolds for Human Choline Kinase Alpha 1 by Chemical Deconvolution Studies
Chembiochem, 14, 2013
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4CG9
 | | Human choline kinase a1 in complex with compound 12 | | Descriptor: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine | | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | | Deposit date: | 2013-11-21 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives
J.Med.Chem., 57, 2014
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4CG8
 | | Human choline kinase a1 in complex with compound 14 | | Descriptor: | 1-benzyl-4-(dimethylamino)pyridinium, 4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium, CHOLINE KINASE ALPHA | | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | | Deposit date: | 2013-11-21 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives
J.Med.Chem., 57, 2014
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4CGA
 | | Human choline kinase a1 in complex with compound 5 | | Descriptor: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine | | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | | Deposit date: | 2013-11-21 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives
J.Med.Chem., 57, 2014
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5AFV
 | | Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1. | | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium, CHOLINE KINASE ALPHA | | Authors: | Serran-Aguilera, L, Nuti, R, Lopez-Cara, L.C, Gallo Mezo, M.A, Macchiarulo, A, Entrena, A, Hurtado-Guerrero, R. | | Deposit date: | 2015-01-26 | | Release date: | 2015-03-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase Alpha1
Mol Inform, 34, 2015
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4R78
 | | Crystal structure of LicA in complex with AMP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Choline kinase | | Authors: | Wang, L, Jiang, Y.L, Zhou, C.Z, Chen, Y.X. | | Deposit date: | 2014-08-27 | | Release date: | 2015-08-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and enzymatic characterization of the choline kinase LicA from Streptococcus pneumoniae
Plos One, 10, 2015
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4R77
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4R7B
 | | Crystal structure of pneumococcal LicA in complex with choline | | Descriptor: | CHOLINE ION, Choline kinase | | Authors: | Wang, L, Jiang, Y.L, Zhou, C.Z, Chen, Y.X. | | Deposit date: | 2014-08-27 | | Release date: | 2015-08-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural and enzymatic characterization of the choline kinase LicA from Streptococcus pneumoniae
Plos One, 10, 2015
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