1NW1
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CRYSTAL STRUCTURE OF CHOLINE KINASE
Descriptor:Choline kinase (49.2 kD), CALCIUM ION
Authors:Peisach, D., Gee, P., Kent, C., Xu, Z.
Deposit date:2003-02-05
Release date:2003-06-10
Last modified:2014-04-30
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The Crystal Structure of Choline Kinase Reveals a Eukaryotic Protein Kinase Fold
Structure, 11, 2003
2CKO
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CRYSTAL STRUCTURE OF HUMAN CHOLINE KINASE ALPHA 2
Descriptor:CHOLINE KINASE ALPHA, 2,3-DIHYDROXY-1,4-DITHIOBUTANE
Authors:Malito, E., Lavie, A.
Deposit date:2006-04-20
Release date:2006-10-04
Last modified:2011-07-13
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
2CKP
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CRYSTAL STRUCTURE OF HUMAN CHOLINE KINASE ALPHA-2 IN COMPLEX WITH ADP
Descriptor:CHOLINE KINASE ALPHA, ADENOSINE-5'-DIPHOSPHATE
Authors:Malito, E., Lavie, A.
Deposit date:2006-04-20
Release date:2006-10-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Elucidation of Human Choline Kinase Crystal Structures in Complex with the Products Adp or Phosphocholine.
J.Mol.Biol., 364, 2006
2CKQ
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CRYSTAL STRUCTURE OF HUMAN CHOLINE KINASE ALPHA 2 IN COMPLEX WITH PHOSPHOCHOLINE
Descriptor:CHOLINE KINASE ALPHA, PHOSPHOCHOLINE
Authors:Malito, E., Lavie, A.
Deposit date:2006-04-20
Release date:2006-10-04
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Elucidation of Human Choline Kinase Crystal Structures in Complex with the Products Adp or Phosphocholine.
J.Mol.Biol., 364, 2006
2I7Q
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CRYSTAL STRUCTURE OF HUMAN CHOLINE KINASE A
Descriptor:Choline kinase alpha, CHLORIDE ION, 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:2017-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Human Choline Kinase A
To be Published
2IG7
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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
2QG7
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PLASMODIUM VIVAX ETHANOLAMINE KINASE PV091845
Descriptor:ethanolamine kinase Pv091845, SULFATE ION
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:2011-07-13
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Plasmodium vivax ethanolamine kinase Pv091845
TO BE PUBLISHED
3C5I
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CRYSTAL STRUCTURE OF PLASMODIUM KNOWLESI CHOLINE KINASE, PKH_134520
Descriptor:Choline kinase, Cleaved fragment of N-terminal expression tag, MAGNESIUM ION, ...
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:2017-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520.
To be Published
3DXQ
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CRYSTAL STRUCTURE OF CHOLINE/ETHANOLAMINE KINASE FAMILY PROTEIN (NP_106042.1) FROM MESORHIZOBIUM LOTI AT 2.55 A RESOLUTION
Descriptor:choline/ethanolamine kinase family protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-07-24
Release date:2008-08-05
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of choline/ethanolamine kinase family protein (NP_106042.1) from MESORHIZOBIUM LOTI at 2.55 A resolution
To be published
3F2R
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CRYSTAL STRUCTURE OF HUMAN CHOLINE KINASE ALPHA IN COMPLEX WITH HEMICHOLINIUM-3
Descriptor:Choline kinase alpha, (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), 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:2018-04-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of human choline kinase alpha in complex with hemicholinium-3
To be Published
3FEG
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CRYSTAL STRUCTURE OF HUMAN CHOLINE KINASE BETA IN COMPLEX WITH PHOSPHORYLATED HEMICHOLINIUM-3 AND ADENOSINE NUCLEOTIDE
Descriptor:Choline/ethanolamine kinase, (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium, SULFATE ION, ...
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:2017-11-01
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
3FI8
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CRYSTAL STRUCTURE OF CHOLINE KINASE FROM PLASMODIUM FALCIPARUM, PF14_0020
Descriptor:Choline kinase, ADENOSINE-5'-DIPHOSPHATE, 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:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of choline kinase from Plasmodium Falciparum, PF14_0020
TO BE PUBLISHED
3G15
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CRYSTAL STRUCTURE OF HUMAN CHOLINE KINASE ALPHA IN COMPLEX WITH HEMICHOLINIUM-3 AND ADP
Descriptor:Choline kinase alpha, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
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:2017-11-01
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
3LQ3
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CRYSTAL STRUCTURE OF HUMAN CHOLINE KINASE BETA IN COMPLEX WITH PHOSPHORYLATED HEMICHOLINIUM-3 AND ADENOSINE NUCLEOTIDE
Descriptor:Choline/ethanolamine kinase, (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium, MAGNESIUM ION, ...
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:2017-11-01
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
3MES
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CRYSTAL STRUCTURE OF CHOLINE KINASE FROM CRYPTOSPORIDIUM PARVUM IOWA II, CGD3_2030
Descriptor:Choline kinase, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM 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:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
TO BE PUBLISHED
3ZM9
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THE MECHANISM OF ALLOSTERIC COUPLING IN CHOLINE KINASE A1 REVEALED BY A RATIONALLY DESIGNED INHIBITOR
Descriptor:CHOLINE KINASE ALPHA, 1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium
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:2013-05-01
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
4BR3
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DETERMINATION OF POTENTIAL SCAFFOLDS FOR HUMAN CHOLINE KINASE ALPHA 1 BY CHEMICAL DECONVOLUTION STUDIES
Descriptor:CHOLINE KINASE ALPHA, 1-((4'-((6-amino-3H-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium, 3-benzyladenine, ...
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:2015-03-25
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
4CG8
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HUMAN CHOLINE KINASE A1 IN COMPLEX WITH COMPOUND 14
Descriptor:CHOLINE KINASE ALPHA, 4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium, 1-benzyl-4-(dimethylamino)pyridinium
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:2014-02-05
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
4CG9
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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:2014-03-12
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
4CGA
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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:2014-02-05
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
4DA5
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CHOLINE KINASE ALPHA ACTS THROUGH A DOUBLE-DISPLACEMENT KINETIC MECHANISM INVOLVING ENZYME ISOMERISATION, AS DETERMINED THROUGH ENZYME AND INHIBITOR KINETICS AND STRUCTURAL BIOLOGY
Descriptor:Choline kinase alpha, SULFATE ION, (3R)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol
Authors:Brown, K., Hudson, C., Charlton, P., Pollard, J.
Deposit date:2012-01-12
Release date:2013-04-17
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Kinetic and mechanistic characterisation of Choline Kinase-alpha.
Biochim.Biophys.Acta, 1834, 2013
4R77
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CRYSTAL STRUCTURE OF CHOLINE KINASE LICA FROM STREPTOCOCCUS PNEUMONIAE
Descriptor:Choline kinase
Authors:Wang, L., Jiang, Y.L., Zhou, C.Z., Chen, Y.X.
Deposit date:2014-08-27
Release date:2015-08-12
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural and enzymatic characterization of the choline kinase LicA from Streptococcus pneumoniae
Plos One, 10, 2015
4R78
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CRYSTAL STRUCTURE OF LICA IN COMPLEX WITH AMP
Descriptor:Choline kinase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE
Authors:Wang, L., Jiang, Y.L., Zhou, C.Z., Chen, Y.X.
Deposit date:2014-08-27
Release date:2015-08-12
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and enzymatic characterization of the choline kinase LicA from Streptococcus pneumoniae
Plos One, 10, 2015
4R7B
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CRYSTAL STRUCTURE OF PNEUMOCOCCAL LICA IN COMPLEX WITH CHOLINE
Descriptor:Choline kinase, CHOLINE ION
Authors:Wang, L., Jiang, Y.L., Zhou, C.Z., Chen, Y.X.
Deposit date:2014-08-27
Release date:2015-08-12
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and enzymatic characterization of the choline kinase LicA from Streptococcus pneumoniae
Plos One, 10, 2015
5AFV
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PHARMACOPHORE-BASED VIRTUAL SCREENING TO DISCOVER NEW ACTIVE COMPOUNDS FOR HUMAN CHOLINE KINASE ALPHA1.
Descriptor:CHOLINE KINASE ALPHA, 1,2-ETHANEDIOL, 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium
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:2017-09-13
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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