5X86
| Crystal structure of TMP bound thymidylate kinase from thermus thermophilus HB8 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | 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 (1.19 Å) | Cite: | Structural and functional roles of dynamically correlated residues in thymidylate kinase. Acta Crystallogr D Struct Biol, 74, 2018
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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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4EDH
| The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with ADP,TMP and Mg. | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ... | 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: | 2012-03-27 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | The crystal structure of thymidylate kinase from Pseudomonas aeruginosa PAO1 in complex with ADP,TMP and Mg. To be Published
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5X8B
| Crystal structure of ATP-TMP and ADP bound thymidylate kinase from Thermus thermophilus HB8 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 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 (1.39 Å) | Cite: | Structural and functional roles of dynamically correlated residues in thymidylate kinase. Acta Crystallogr D Struct Biol, 74, 2018
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1NN5
| Crystal structure of human thymidylate kinase with d4TMP + AppNHp | Descriptor: | 3'-DEOXYTHYMIDINE-5'-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 (1.5 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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5XAK
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2YOG
| Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea, THYMIDYLATE KINASE | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | Deposit date: | 2012-10-24 | Release date: | 2013-07-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
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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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1GTV
| CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE-5'-DIPHOSPHATE (TDP) | Descriptor: | ACETATE ION, MAGNESIUM ION, SULFATE ION, ... | Authors: | Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D. | Deposit date: | 2002-01-21 | Release date: | 2002-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals Acta Crystallogr.,Sect.D, 58, 2002
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4MQB
| Crystal structure of thymidylate kinase from Staphylococcus aureus in complex with 2-(N-morpholino)ethanesulfonic acid | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TETRAETHYLENE GLYCOL, Thymidylate kinase | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2013-09-16 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of thymidylate kinase from Staphylococcus aureus in complex with 2-(N-morpholino)ethanesulfonic acid To be Published
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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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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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1GSI
| CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) | Descriptor: | ACETATE ION, MAGNESIUM ION, SULFATE ION, ... | Authors: | Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D. | Deposit date: | 2002-01-03 | Release date: | 2002-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals Acta Crystallogr.,Sect.D, 58, 2002
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1E9E
| Mutant human thymidylate kinase (F105Y) complexed with dTMP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reintein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-11 | Release date: | 2001-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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1E2F
| Human thymidylate kinase complexed with thymidine monophosphate, adenosine diphosphate and a magnesium-ion | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ostermann, N, Schlichting, I, Brundiers, R, Konrad, M, Reinstein, J, Veit, T, Goody, R.S, Lavie, A. | Deposit date: | 2000-05-22 | Release date: | 2001-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights Into the Phosphoryltransfer Mechanism of Human Thymidylate Kinase Gained from Crystal Structures of Enzyme Complexes Along the Reaction Coordinate Structure, 8, 2000
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2YOH
| Plasmodium falciparum thymidylate kinase in complex with a urea-alpha- deoxythymidine inhibitor | Descriptor: | 1-[[(2R,3S,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]-3-(4-nitrophenyl)urea, THYMIDYLATE KINASE | Authors: | Huaqing, C, Carrero-Lerida, J, Silva, A.P.G, Whittingham, J.L, Brannigan, J.A, Ruiz-Perez, L.M, Read, K.D, Wilson, K.S, Gonzalez-Pacanowska, D, Gilbert, I.H. | Deposit date: | 2012-10-24 | Release date: | 2013-07-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials. J.Med.Chem., 55, 2012
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1NMY
| Crystal structure of human thymidylate kinase with FLTMP and AppNHp | Descriptor: | 3'-FLUORO-3'-DEOXYTHYMIDINE 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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2PLR
| Crystal structure of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7 | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Kanaujia, S.P, Jeyakanthan, J, Rafi, Z.A, Sekar, K, Nakagawa, N, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-20 | Release date: | 2008-04-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7 To be Published
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1E9C
| Mutant human thymidylate kinase complexed with TMP and APPNP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reintein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-10 | Release date: | 2001-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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1E9A
| Human thymidylate kinase complexed with the bisubstrate inhibitor AZTP5A | Descriptor: | MAGNESIUM ION, P1-(5'-ADENOSYL)P5-(5'-(3'AZIDO-3'-DEOXYTHYMIDYL))PENTAPHOSPHATE, THYMIDYLATE KINASE | Authors: | Ostermann, N, Lavie, A, Padiyar, S, Brundiers, R, Veit, T, Reintein, J, Goody, R.S, Konrad, M, Schlichting, I. | Deposit date: | 2000-10-10 | Release date: | 2001-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potentiating Azt Activation: Structures of Wildtype and Mutant Human Thymidylate Kinase Suggest Reasons for the Mutants' Improved Kinetics with the HIV Prodrug Metabolite Aztmp J.Mol.Biol., 304, 2000
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4QGG
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1E2D
| Human thymidylate kinase complexed with thymidine monophosphate, adenosine diphosphate and a magnesium-ion | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... | Authors: | Ostermann, N, Schlichting, I, Brundiers, R, Konrad, M, Reinstein, J, Veit, T, Goody, R.S, Lavie, A. | Deposit date: | 2000-05-22 | Release date: | 2001-05-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Insights Into the Phosphoryltransfer Mechanism of Human Thymidylate Kinase Gained from Crystal Structures of Enzyme Complexes Along the Reaction Coordinate Structure, 8, 2000
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5X8V
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5X8K
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