1P5Z
 
 | | Structure of human dCK complexed with cytarabine and ADP-MG | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CYTARABINE, Deoxycytidine kinase, ... | | Authors: | Sabini, E, Ort, S, Monnerjahn, C, Konrad, M, Lavie, A. | | Deposit date: | 2003-04-28 | | Release date: | 2003-07-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of human dCK suggests strategies to improve anticancer and antiviral therapy
Nat.Struct.Biol., 10, 2003
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7ZIA
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0634 inhibitor | | Descriptor: | 2-[2-[[2-methyl-5-[6-(4-methylpiperazin-1-yl)sulfonylpyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | | Authors: | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
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2NO7
 | | C4S dCK variant of dCK in complex with L-dC+ADP | | Descriptor: | 4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase | | Authors: | Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A. | | Deposit date: | 2006-10-25 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
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2ZI5
 | | C4S dCK variant of dCK in complex with L-dA+UDP | | Descriptor: | (2S,3R,5S)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Sabini, E, Lavie, A. | | Deposit date: | 2008-02-13 | | Release date: | 2008-04-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural basis for substrate promiscuity of dCK
J.Mol.Biol., 378, 2008
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2ZI6
 | | C4S dCK variant of dCK in complex with D-dA+UDP | | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Sabini, E, Lavie, A. | | Deposit date: | 2008-02-13 | | Release date: | 2008-04-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural basis for substrate promiscuity of dCK
J.Mol.Biol., 378, 2008
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2ZIA
 | | C4S dCK variant of dCK in complex with cladribine+UDP | | Descriptor: | 2-chloro-2'-deoxyadenosine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Sabini, E, Lavie, A. | | Deposit date: | 2008-02-13 | | Release date: | 2008-07-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Elucidation of different binding modes of purine nucleosides to human deoxycytidine kinase
J.Med.Chem., 51, 2008
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7ZI9
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0624 inhibitor | | Descriptor: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
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7ZI7
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0345 inhibitor | | Descriptor: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-N-propyl-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
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2NOA
 | | The structure of deoxycytidine kinase complexed with lamivudine and ADP. | | Descriptor: | 4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase | | Authors: | Sabini, E, Lavie, A. | | Deposit date: | 2006-10-25 | | Release date: | 2007-02-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for activation of the therapeutic L-nucleoside analogs 3TC and troxacitabine by human deoxycytidine kinase.
Nucleic Acids Res., 35, 2007
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2NO0
 | | C4S dCK variant of dCK in complex with gemcitabine+ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, GEMCITABINE | | Authors: | Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A. | | Deposit date: | 2006-10-24 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
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4Q1E
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 10 {2-{[(1R/S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol 4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine} | | Descriptor: | (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, ... | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
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7ZI1
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi1 inhibitor | | Descriptor: | Deoxycytidine kinase, N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, SODIUM ION, ... | | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
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4JLK
 | | Human dCK C4S-S74E mutant in complex with UDP and the F2.2.1 inhibitoR (2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-METHYL-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE) | | Descriptor: | 2-[({2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl}methyl)sulfanyl]pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2013-03-12 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
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3QEO
 | | S74E-R104M-D133A dCK variant in complex with L-deoxythymidine and UDP | | Descriptor: | Deoxycytidine kinase, L-deoxythymidine, URIDINE-5'-DIPHOSPHATE | | Authors: | Lavie, A, Hazra, S. | | Deposit date: | 2011-01-20 | | Release date: | 2011-03-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Post-translational phosphorylation of serine 74 of human deoxycytidine kinase favors the enzyme adopting the open conformation making it competent for nucleoside binding and release.
Biochemistry, 50, 2011
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4Q1A
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 6 {2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol} | | Descriptor: | 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2014-04-03 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
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7ZI3
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0642 inhibitor | | Descriptor: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | | Authors: | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
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1P62
 | | Structure of human dCK complexed with gemcitabine and ADP-MG | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, GEMCITABINE, ... | | Authors: | Sabini, E, Ort, S, Monnerjahn, C, Konrad, M, Lavie, A. | | Deposit date: | 2003-04-28 | | Release date: | 2003-07-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of human dCK suggests strategies to improve anticancer and antiviral therapy
Nat.Struct.Biol., 10, 2003
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2NO6
 | | C4S dCK variant of dCK in complex with FTC+ADP | | Descriptor: | 4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase | | Authors: | Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A. | | Deposit date: | 2006-10-25 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
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2NO1
 | | C4S dCK variant of dCK in complex with D-dC+ADP | | Descriptor: | 2'-DEOXYCYTIDINE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase | | Authors: | Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A. | | Deposit date: | 2006-10-24 | | Release date: | 2007-07-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
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4L5B
 | | Human dCK C4S-S74E mutant in complex with UDP and the DI-43 inhibitor | | Descriptor: | 1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Nomme, J, Lavie, A. | | Deposit date: | 2013-06-10 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
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7ZIB
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0635 inhibitor | | Descriptor: | 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | | Authors: | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
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3KFX
 | | Human dCK complex with 5-Me dC and ADP | | Descriptor: | 5-METHYL-2'-DEOXYCYTIDINE, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase | | Authors: | Hazra, S, Lavie, A. | | Deposit date: | 2009-10-28 | | Release date: | 2010-09-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural and kinetic characterization of human deoxycytidine kinase variants able to phosphorylate 5-substituted deoxycytidine and thymidine analogues .
Biochemistry, 49, 2010
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1P60
 | | Structure of human dCK complexed with 2'-Deoxycytidine and ADP, Space group C 2 2 21 | | Descriptor: | 2'-DEOXYCYTIDINE, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase | | Authors: | Sabini, E, Ort, S, Monnerjahn, C, Konrad, M, Lavie, A. | | Deposit date: | 2003-04-28 | | Release date: | 2003-07-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure of human dCK suggests strategies to improve anticancer and antiviral therapy
Nat.Struct.Biol., 10, 2003
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2ZI7
 | | C4S dCK variant of dCK in complex with D-dG+UDP | | Descriptor: | 2'-DEOXY-GUANOSINE, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | Authors: | Sabini, E, Lavie, A. | | Deposit date: | 2008-02-13 | | Release date: | 2008-07-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Elucidation of different binding modes of purine nucleosides to human deoxycytidine kinase
J.Med.Chem., 51, 2008
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7ZI8
 | | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0602 inhibitor | | Descriptor: | 2-[2-[[2-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | | Authors: | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | | Deposit date: | 2022-04-07 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
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