7NB1
| Crystal structure of human choline alpha in complex with an inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-aminopurin-9-yl)-~{N}-[4-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide, Choline kinase alpha | Authors: | Casale, E, Fasolini, M. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of unprecedented ATP-competitive choline kinase inhibitors. Bioorg.Med.Chem.Lett., 51, 2021
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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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5EQP
| Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37) | Descriptor: | 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline, Choline kinase alpha | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2015-11-13 | Release date: | 2016-01-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J.Med.Chem., 59, 2016
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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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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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5W6O
| Choline Kinase Alpha in Complex with TCD-717 | Descriptor: | 1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Kall, S.K, Lavie, A. | Deposit date: | 2017-06-16 | Release date: | 2018-02-14 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of a Unique Inhibitor-Binding Site on Choline Kinase alpha. Biochemistry, 57, 2018
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8BI6
| Crystal structure of human Choline Kinase A in complex with UNC0638 | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ... | Authors: | Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human Choline Kinase A in complex with UNC0638 To Be Published
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5EQE
| Crystal structure of choline kinase alpha-1 bound by [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (compound 11) | Descriptor: | Choline kinase alpha, [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2015-11-12 | Release date: | 2016-01-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J.Med.Chem., 59, 2016
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2CKQ
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7NB2
| Crystal structure of human choline alpha in complex with an inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-azanyl-2-chloranyl-purin-9-yl)-~{N}-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide, Choline kinase alpha, ... | Authors: | Casale, E, Fasolini, M. | Deposit date: | 2021-01-25 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of unprecedented ATP-competitive choline kinase inhibitors. Bioorg.Med.Chem.Lett., 51, 2021
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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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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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8BI5
| Crystal structure of human Choline Kinase A in complex with UNC0737 | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ... | Authors: | Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human Choline Kinase A in complex with UNC0737 To Be Published
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5EQY
| Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65) | Descriptor: | 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile, Choline kinase alpha | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2015-11-13 | Release date: | 2016-01-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery. J.Med.Chem., 59, 2016
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3DXQ
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2CKP
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