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3G15
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BU of 3g15 by Molmil
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
1NW1
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BU of 1nw1 by Molmil
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
5AFV
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BU of 5afv by Molmil
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
5W6O
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BU of 5w6o by Molmil
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
2QG7
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BU of 2qg7 by Molmil
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
3LQ3
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BU of 3lq3 by Molmil
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
7A04
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BU of 7a04 by Molmil
Structure of human CKa1 in complex with compound b
Descriptor: 1,2-ETHANEDIOL, 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium, Choline kinase alpha
Authors:Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C.
Deposit date:2020-08-06
Release date:2020-09-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism.
Eur.J.Med.Chem., 207, 2020
7A06
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BU of 7a06 by Molmil
Structure of human CKa1 in complex with compound o
Descriptor: 1,2-ETHANEDIOL, 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine, Choline kinase alpha
Authors:Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C.
Deposit date:2020-08-06
Release date:2020-09-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism.
Eur.J.Med.Chem., 207, 2020
3MES
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BU of 3mes by Molmil
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
8BI6
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BU of 8bi6 by Molmil
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
8BI5
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BU of 8bi5 by Molmil
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
2I7Q
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BU of 2i7q by Molmil
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
2IG7
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BU of 2ig7 by Molmil
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
6WHP
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BU of 6whp by Molmil
Structure of Choline kinase from Cryptococcus neoformans var. grubii serotype A
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Choline kinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-04-08
Release date:2020-04-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of Choline kinase from Cryptococcus neoformans var. grubii serotype A
to be published
4R7B
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BU of 4r7b by Molmil
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
4R78
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BU of 4r78 by Molmil
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
4R77
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BU of 4r77 by Molmil
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
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural and enzymatic characterization of the choline kinase LicA from Streptococcus pneumoniae
Plos One, 10, 2015
6YXS
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BU of 6yxs by Molmil
Crystal structure of the apo form of choline kinase from Plasmodium falciparum
Descriptor: Choline kinase, GLYCEROL, MAGNESIUM ION, ...
Authors:Torretta, A, Parisini, E.
Deposit date:2020-05-03
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Apo and the ADP-Bound Form of Choline Kinase from Plasmodium falciparum
Crystals, 2020
6YXT
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BU of 6yxt by Molmil
Crystal structure of the ADP-bound form of choline kinase from Plasmodium falciparum
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Choline kinase, ...
Authors:Torretta, A, Parisini, E.
Deposit date:2020-05-03
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Apo and the ADP-Bound Form of Choline Kinase from Plasmodium falciparum
Crystals, 2020
7NB1
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BU of 7nb1 by Molmil
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
7NB3
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BU of 7nb3 by Molmil
Crystal structure of human choline alpha in complex with an inhibitor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)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 Å)
Cite:Identification of unprecedented ATP-competitive choline kinase inhibitors.
Bioorg.Med.Chem.Lett., 51, 2021
7NB2
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BU of 7nb2 by Molmil
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
2CKO
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BU of 2cko by Molmil
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
2CKP
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BU of 2ckp by Molmil
Crystal structure of Human Choline Kinase alpha-2 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, 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 (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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BU of 2ckq by Molmil
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:2023-12-13
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

 

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