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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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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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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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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4O0F
| Crystal structure of the human L-asparaginase protein T219A mutant | Descriptor: | GLYCINE, Isoaspartyl peptidase/L-asparaginase, SODIUM ION | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2013-12-13 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis. J.Mol.Biol., 426, 2014
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2ORV
| human Thymidine Kinase 1 in complex with TP4A | Descriptor: | P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE, Thymidine kinase, ZINC ION | Authors: | Segura-Pena, D, Lutz, S, Monnerjahn, C, Konrad, M, Lavie, A. | Deposit date: | 2007-02-04 | Release date: | 2007-03-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Binding of ATP to TK1-like Enzymes Is Associated with a Conformational Change in the Quaternary Structure. J.Mol.Biol., 369, 2007
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4O0H
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4O0D
| Crystal structure of the human L-asparaginase protein T168S mutant | Descriptor: | GLYCINE, Isoaspartyl peptidase/L-asparaginase, SODIUM ION | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2013-12-13 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis. J.Mol.Biol., 426, 2014
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4O47
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4O0E
| Crystal structure of the human L-asparaginase protein T186V mutant | Descriptor: | Isoaspartyl peptidase/L-asparaginase, SODIUM ION | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2013-12-13 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis. J.Mol.Biol., 426, 2014
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4O0C
| High resolution crystal structure of uncleaved human L-asparaginase protein | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Isoaspartyl peptidase/L-asparaginase, ... | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2013-12-13 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis. J.Mol.Biol., 426, 2014
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2PEY
| Crystal structure of deletion mutant of APS-kinase domain of human PAPS-synthetase 1 | Descriptor: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 (PAPS synthetase 1) (PAPSS 1) (Sulfurylase kinase 1) (SK1) (SK 1) | Authors: | Sekulic, N, Lavie, A. | Deposit date: | 2007-04-03 | Release date: | 2007-05-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural mechanism for substrate inhibition of the adenosine 5'-phosphosulfate kinase domain of human 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 and its ramifications for enzyme regulation. J.Biol.Chem., 282, 2007
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4O0G
| Crystal structure of the human L-asparaginase protein T219V mutant | Descriptor: | Isoaspartyl peptidase/L-asparaginase, SODIUM ION | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2013-12-13 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis. J.Mol.Biol., 426, 2014
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4O48
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2PEZ
| Crystal structrue of deletion mutant of APS-kinase domain of human PAPS-synthetase 1 in complex with cyclic PAPS and dADP | Descriptor: | (2S,3AR,4R,6R,6AR)-4-(6-AMINO-9H-PURIN-9-YL)-6-({[(R)-HYDROXY(SULFOOXY)PHOSPHORYL]OXY}METHYL)TETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-2-OL 2-OXIDE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 (PAPS synthetase 1) (PAPSS 1) (Sulfurylase kinase 1) (SK1) (SK 1) | Authors: | Sekulic, N, Lavie, A. | Deposit date: | 2007-04-03 | Release date: | 2007-05-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural mechanism for substrate inhibition of the adenosine 5'-phosphosulfate kinase domain of human 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 and its ramifications for enzyme regulation. J.Biol.Chem., 282, 2007
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4OSY
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4OSX
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2QJF
| Crystal structure of ATP-sulfurylase domain of human PAPS synthetase 1 | Descriptor: | ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 1, POTASSIUM ION | Authors: | Sekulic, N, Lavie, A. | Deposit date: | 2007-07-07 | Release date: | 2008-11-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | ATP-sulfurylase domain of human bifunctional PAPS-synthetase oscillates between dimeric and monomeric forms To be Published
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2QQE
| Thymidine Kinase from Thermotoga Maritima in complex with Thymidine | Descriptor: | THYMIDINE, Thymidine kinase, ZINC ION | Authors: | Segura-Pena, D, Lichter, J, Trani, M, Konrad, M, Lavie, A, Lutz, S. | Deposit date: | 2007-07-26 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Quaternary structure change as a mechanism for the regulation of thymidine kinase 1-like enzymes. Structure, 15, 2007
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2QPO
| Thermotoga Maritima Thymidine Kinase in the apo form | Descriptor: | SULFATE ION, Thymidine kinase, ZINC ION | Authors: | Segura-Pena, D, Lichter, J, Trani, M, Konrad, M, Lavie, A, Lutz, S. | Deposit date: | 2007-07-24 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Quaternary structure change as a mechanism for the regulation of thymidine kinase 1-like enzymes. Structure, 15, 2007
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2QQ0
| Thymidine Kinase from Thermotoga Maritima in complex with thymidine + AppNHp | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Segura-Pena, D, Lichter, J, Trani, M, Konrad, M, Lavie, A, Lutz, S. | Deposit date: | 2007-07-25 | Release date: | 2007-10-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Quaternary structure change as a mechanism for the regulation of thymidine kinase 1-like enzymes. Structure, 15, 2007
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4PVR
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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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4PVS
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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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