4S2E
 
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5X8A
 | | Crystal structure of ATP bound thymidylate kinase from thermus thermophilus HB8 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | | Deposit date: | 2017-03-01 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
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1NN0
 | | Crystal structure of human thymidylate kinase with ddTMP and ADP | | Descriptor: | 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | | Deposit date: | 2003-01-12 | | Release date: | 2003-03-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds
Biochemistry, 42, 2003
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5X8C
 | | AMPPCP and TMP bound crystal structure of thymidylate kinase from thermus thermophilus HB8 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | | Deposit date: | 2017-03-02 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
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5X8J
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4GMD
 | | The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with AZT Monophosphate | | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tan, K, Joachimiak, G, Jedrzejczak, R, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-08-15 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with AZT Monophosphate
To be Published
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2TMK
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5X99
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4GFD
 | | Thymidylate kinase (TMK) from S. Aureus in complex with TK-666 | | Descriptor: | 2-(3-bromophenoxy)-4-{(1R)-3,3-dimethyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid, Thymidylate kinase | | Authors: | Olivier, N.B, Martinez-Botella, G, Keating, T. | | Deposit date: | 2012-08-03 | | Release date: | 2012-10-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In Vivo Validation of Thymidylate Kinase (TMK) with a Rationally Designed, Selective Antibacterial Compound.
Acs Chem.Biol., 7, 2012
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4S35
 | | AMPPCP and TMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S. | | Deposit date: | 2015-01-26 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
Febs J., 284, 2017
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1NN3
 | | Crystal structure of human thymidylate kinase with d4TMP + ADP | | Descriptor: | 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | | Deposit date: | 2003-01-12 | | Release date: | 2003-03-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds
Biochemistry, 42, 2003
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4HDC
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4UNR
 | | Mtb TMK in complex with compound 23 | | Descriptor: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4UNQ
 | | Mtb TMK in complex with compound 36 | | Descriptor: | 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4UNP
 | | Mtb TMK in complex with compound 34 | | Descriptor: | 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-01-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4UNN
 | | Mtb TMK in complex with compound 8 | | Descriptor: | 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-29 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4UNS
 | | Mtb TMK in complex with compound 40 | | Descriptor: | N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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4HEJ
 | | Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK): Compund 16 | | Descriptor: | 5-methyl-1-[(3S)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione, Thymidylate kinase | | Authors: | Martinez-Botella, G, Breen, J, Duffy, J, Dumas, J, Geng, B, Gowers, I, Green, O, Guler, S, Hentemann, M, Hernandez-Juan, F, Joseph-McCarthy, D, Kawatkar, S, Larsen, N, Lazari, O, Loch, J, Macritchie, J. | | Deposit date: | 2012-10-03 | | Release date: | 2012-10-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK).
J.Med.Chem., 55, 2012
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5ZB4
 | | Crystal structure of thymidylate kinase in complex with ADP and TMP from thermus thermophilus HB8 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | | Deposit date: | 2018-02-09 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2018
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2WWI
 | | Plasmodium falciparum thymidylate kinase in complex with AZTMP and ADP | | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, THYMIDILATE KINASE, ... | | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | | Deposit date: | 2009-10-23 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
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4HLC
 | | Sulfonylpiperidines as Novel, Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase (TMK): Compound 5 | | Descriptor: | 4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]sulfonyl}-2-(3-methylphenoxy)benzoic acid, Thymidylate kinase | | Authors: | Boriack-Sjodin, A, Olivier, N. | | Deposit date: | 2012-10-16 | | Release date: | 2012-10-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Sulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK).
Bioorg.Med.Chem.Lett., 23, 2013
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5ZB0
 | | Crystal structure of thymidylate kinase in complex with ADP and TDP from thermus thermophilus HB8 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | | Deposit date: | 2018-02-09 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2018
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5ZAX
 | | Crystal structure of thymidylate kinase in complex with ADP, TDP and TMP from thermus thermophilus HB8 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | | Deposit date: | 2018-02-09 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2018
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2V54
 | | Crystal structure of vaccinia virus thymidylate kinase bound to TDP | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE 2-, THYMIDINE-5'-DIPHOSPHATE, ... | | Authors: | Caillat, C, Topalis, D, Agrofoglio, L.A, Pochet, S, Balzarini, J, Deville-Bonne, D, Meyer, P. | | Deposit date: | 2008-10-01 | | Release date: | 2008-10-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Poxvirus Thymidylate Kinase: An Unexpected Dimerization Has Implications for Antiviral Therapy
Proc.Natl.Acad.Sci.USA, 105, 2008
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1NMZ
 | | Crystal structure of human thymidylate kinase with NH2TMP and AppNHp | | Descriptor: | 3'-DEOXY-3'-AMINOTHYMIDINE MONOPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | | Deposit date: | 2003-01-12 | | Release date: | 2003-03-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds
Biochemistry, 42, 2003
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