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PDB: 58 件
1P5Z
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BU of 1p5z by Molmil
Structure of human dCK complexed with cytarabine and ADP-MG
分子名称: ADENOSINE-5'-DIPHOSPHATE, CYTARABINE, Deoxycytidine kinase, ...
著者Sabini, E, Ort, S, Monnerjahn, C, Konrad, M, Lavie, A.
登録日2003-04-28
公開日2003-07-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of human dCK suggests strategies to improve anticancer and antiviral therapy
Nat.Struct.Biol., 10, 2003
7ZIA
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BU of 7zia by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0634 inhibitor
分子名称: 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, ...
著者Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
2NO7
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BU of 2no7 by Molmil
C4S dCK variant of dCK in complex with L-dC+ADP
分子名称: 4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase
著者Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A.
登録日2006-10-25
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
2ZI5
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BU of 2zi5 by Molmil
C4S dCK variant of dCK in complex with L-dA+UDP
分子名称: (2S,3R,5S)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Sabini, E, Lavie, A.
登録日2008-02-13
公開日2008-04-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural basis for substrate promiscuity of dCK
J.Mol.Biol., 378, 2008
2ZI6
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BU of 2zi6 by Molmil
C4S dCK variant of dCK in complex with D-dA+UDP
分子名称: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Sabini, E, Lavie, A.
登録日2008-02-13
公開日2008-04-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural basis for substrate promiscuity of dCK
J.Mol.Biol., 378, 2008
7ZI9
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BU of 7zi9 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0624 inhibitor
分子名称: 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, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
7ZI7
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BU of 7zi7 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0345 inhibitor
分子名称: 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, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
2ZIA
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BU of 2zia by Molmil
C4S dCK variant of dCK in complex with cladribine+UDP
分子名称: 2-chloro-2'-deoxyadenosine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Sabini, E, Lavie, A.
登録日2008-02-13
公開日2008-07-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Elucidation of different binding modes of purine nucleosides to human deoxycytidine kinase
J.Med.Chem., 51, 2008
2NOA
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BU of 2noa by Molmil
The structure of deoxycytidine kinase complexed with lamivudine and ADP.
分子名称: 4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase
著者Sabini, E, Lavie, A.
登録日2006-10-25
公開日2007-02-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for activation of the therapeutic L-nucleoside analogs 3TC and troxacitabine by human deoxycytidine kinase.
Nucleic Acids Res., 35, 2007
2NO0
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BU of 2no0 by Molmil
C4S dCK variant of dCK in complex with gemcitabine+ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, GEMCITABINE
著者Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A.
登録日2006-10-24
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
7ZI1
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BU of 7zi1 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi1 inhibitor
分子名称: 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, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
4Q1E
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BU of 4q1e by Molmil
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}
分子名称: (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, ...
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4JLK
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BU of 4jlk by Molmil
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)
分子名称: 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
著者Nomme, J, Lavie, A.
登録日2013-03-12
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
3QEO
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BU of 3qeo by Molmil
S74E-R104M-D133A dCK variant in complex with L-deoxythymidine and UDP
分子名称: Deoxycytidine kinase, L-deoxythymidine, URIDINE-5'-DIPHOSPHATE
著者Lavie, A, Hazra, S.
登録日2011-01-20
公開日2011-03-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献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
7ZI3
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BU of 7zi3 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0642 inhibitor
分子名称: 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, ...
著者Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
1P62
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BU of 1p62 by Molmil
Structure of human dCK complexed with gemcitabine and ADP-MG
分子名称: ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, GEMCITABINE, ...
著者Sabini, E, Ort, S, Monnerjahn, C, Konrad, M, Lavie, A.
登録日2003-04-28
公開日2003-07-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of human dCK suggests strategies to improve anticancer and antiviral therapy
Nat.Struct.Biol., 10, 2003
2NO6
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BU of 2no6 by Molmil
C4S dCK variant of dCK in complex with FTC+ADP
分子名称: 4-AMINO-5-FLUORO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase
著者Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A.
登録日2006-10-25
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
4Q1A
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BU of 4q1a by Molmil
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}
分子名称: 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
2NO1
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BU of 2no1 by Molmil
C4S dCK variant of dCK in complex with D-dC+ADP
分子名称: 2'-DEOXYCYTIDINE, ADENOSINE-5'-DIPHOSPHATE, deoxycytidine kinase
著者Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A.
登録日2006-10-24
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
4L5B
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BU of 4l5b by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the DI-43 inhibitor
分子名称: 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
著者Nomme, J, Lavie, A.
登録日2013-06-10
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.
J.Med.Chem., 56, 2013
7ZIB
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BU of 7zib by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0635 inhibitor
分子名称: 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, ...
著者Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023
3KFX
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BU of 3kfx by Molmil
Human dCK complex with 5-Me dC and ADP
分子名称: 5-METHYL-2'-DEOXYCYTIDINE, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase
著者Hazra, S, Lavie, A.
登録日2009-10-28
公開日2010-09-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural and kinetic characterization of human deoxycytidine kinase variants able to phosphorylate 5-substituted deoxycytidine and thymidine analogues .
Biochemistry, 49, 2010
1P60
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BU of 1p60 by Molmil
Structure of human dCK complexed with 2'-Deoxycytidine and ADP, Space group C 2 2 21
分子名称: 2'-DEOXYCYTIDINE, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase
著者Sabini, E, Ort, S, Monnerjahn, C, Konrad, M, Lavie, A.
登録日2003-04-28
公開日2003-07-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure of human dCK suggests strategies to improve anticancer and antiviral therapy
Nat.Struct.Biol., 10, 2003
2ZI7
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BU of 2zi7 by Molmil
C4S dCK variant of dCK in complex with D-dG+UDP
分子名称: 2'-DEOXY-GUANOSINE, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Sabini, E, Lavie, A.
登録日2008-02-13
公開日2008-07-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Elucidation of different binding modes of purine nucleosides to human deoxycytidine kinase
J.Med.Chem., 51, 2008
7ZI8
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BU of 7zi8 by Molmil
Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0602 inhibitor
分子名称: 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, ...
著者Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X.
登録日2022-04-07
公開日2023-06-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia.
Nat Commun, 14, 2023

 

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