7FGQ
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6YT1
| Mtb TMK crystal structure in complex with compound 26 | Descriptor: | 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide, CITRIC ACID, Thymidylate kinase | Authors: | Merceron, R, De Munck, S, Jian, Y, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S.N. | Deposit date: | 2020-04-23 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Endeavors towards transformation of M. tuberculosis thymidylate kinase (MtbTMPK) inhibitors into potential antimycobacterial agents. Eur.J.Med.Chem., 206, 2020
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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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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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5XT8
| Magnesium bound apo structure of thymidylate kinase (form I) from Thermus thermophilus HB8 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Chaudhary, S.K, Jeyakanthan, J, Sekar, K. | Deposit date: | 2017-06-17 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural and functional roles of dynamically correlated residues in thymidylate kinase. Acta Crystallogr D Struct Biol, 74, 2018
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5NRN
| Mtb TMK crystal structure in complex with compound 3 | Descriptor: | 5-methyl-1-[1-[(6-phenoxypyridin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase | Authors: | Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. | Deposit date: | 2017-04-25 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mtb TMK crystal structure in complex with compound LS3080 To Be Published
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5NRQ
| Mtb TMK crystal structure in complex with compound 33 | Descriptor: | 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase | Authors: | Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. | Deposit date: | 2017-04-25 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mtb TMK crystal structure in complex with compound LS3112 To Be Published
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5NR7
| Mtb TMK crystal structure in complex with compound 43 | Descriptor: | 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase | Authors: | Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. | Deposit date: | 2017-04-22 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors. J. Med. Chem., 61, 2018
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5NQ5
| Mtb TMK crystal structure in complex with compound 1 | Descriptor: | 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione, Thymidylate kinase | Authors: | Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. | Deposit date: | 2017-04-19 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors. J. Med. Chem., 61, 2018
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5XBH
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5XB5
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5XB2
| ADP-Mg-F-dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FLUORIDE ION, MAGNESIUM ION, ... | Authors: | Biswas, A, Jeyakanthan, J, Sekar, K. | Deposit date: | 2017-03-15 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.161 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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5XB3
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5XAK
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5XAL
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5XAI
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5X99
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5X98
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5X8J
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5X8K
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5X8V
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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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5X8D
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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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