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2CCK
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CRYSTAL STRUCTURE OF UNLIGANDED S. AUREUS THYMIDYLATE KINASE
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDYLATE KINASE
Authors:Kotaka, M, Dhaliwal, B, Ren, J, Nichols, C.E, Angell, R, Lockyer, M, Hawkins, A.R, Stammers, D.K.
Deposit date:2006-01-16
Release date:2006-03-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structures of S. Aureus Thymidylate Kinase Reveal an Atypical Active Site Configuration and an Intermediate Conformational State Upon Substrate Binding
Protein Sci., 15, 2006
4HEJ
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BU of 4hej by Molmil
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
5H5B
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BU of 5h5b by Molmil
Citrate ion bound crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Descriptor: CITRATE ANION, Thymidylate kinase
Authors:Biswas, A, Jeyakanthan, J, Sekar, K.
Deposit date:2016-11-05
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
5H56
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ADP and dTDP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S.
Deposit date:2016-11-04
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
5NQ5
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BU of 5nq5 by Molmil
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
5NRQ
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BU of 5nrq by Molmil
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
2YOH
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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
2XX3
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BU of 2xx3 by Molmil
HUMAN THYMIDYLATE KINASE COMPLEXED WITH thymidine butenyl phosphonate monophosphate and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N1-[(E)-4-DIHYDROXYPHOSPHONYL-BUT-2-ENYL]-THYMINE, ...
Authors:Caillat, C, Meyer, P.
Deposit date:2010-11-08
Release date:2011-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Antiviral C5-Substituted Pyrimidine Acyclic Nucleoside Phosphonates Selected as Human Thymidylate Kinase Substrates.
J.Med.Chem., 54, 2011
5H5K
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BU of 5h5k by Molmil
ATP and CMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Biswas, A, Jeyakanthan, J, Sekar, K.
Deposit date:2016-11-06
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
5NR7
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BU of 5nr7 by Molmil
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
5NRN
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BU of 5nrn by Molmil
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
5H70
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BU of 5h70 by Molmil
Crystal structure of ADP bound dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S.
Deposit date:2016-11-15
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of ADP bound dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7
To Be Published
2YOF
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BU of 2yof by Molmil
Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor
Descriptor: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea, ACETATE ION, 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 (1.82 Å)
Cite:Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.
J.Med.Chem., 55, 2012
2YOG
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BU of 2yog by Molmil
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
3UWK
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BU of 3uwk by Molmil
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
Descriptor: 1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, MAGNESIUM ION, Thymidylate kinase
Authors:Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R.
Deposit date:2011-12-02
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
3UWO
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BU of 3uwo by Molmil
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
Descriptor: 3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide, Thymidylate kinase
Authors:Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R.
Deposit date:2011-12-02
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
3V9P
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BU of 3v9p by Molmil
Crystal structure of Thymidylate kinase from Burkholderia thailandensis
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-27
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3TMK
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BU of 3tmk by Molmil
CRYSTAL STRUCTURE OF YEAST THYMIDYLATE KINASE COMPLEXED WITH THE BISUBSTRATE INHIBITOR TP5A AT 2.0 A RESOLUTION: IMPLICATIONS FOR CATALYSIS AND AZT ACTIVATION
Descriptor: P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, THYMIDYLATE KINASE
Authors:Lavie, A, Schlichting, I, Konrad, M, Goody, R.S, Brundiers, R, Reinstein, J.
Deposit date:1998-01-26
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of yeast thymidylate kinase complexed with the bisubstrate inhibitor P1-(5'-adenosyl) P5-(5'-thymidyl) pentaphosphate (TP5A) at 2.0 A resolution: implications for catalysis and AZT activation.
Biochemistry, 37, 1998
3UXM
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BU of 3uxm by Molmil
Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
Descriptor: 5'-deoxy-5'-fluorothymidine, MAGNESIUM ION, Thymidylate kinase
Authors:Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R.
Deposit date:2011-12-05
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012
5X8A
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BU of 5x8a by Molmil
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
2TMK
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BU of 2tmk by Molmil
YEAST THYMIDYLATE KINASE COMPLEXED WITH 3'-AZIDO-3'-DEOXYTHYMIDINE MONOPHOSPHATE (AZT-MP)
Descriptor: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, SULFATE ION, THYMIDYLATE KINASE
Authors:Lavie, A, Schlichting, I.
Deposit date:1997-06-12
Release date:1998-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of thymidylate kinase reveals the cause behind the limiting step in AZT activation.
Nat.Struct.Biol., 4, 1997
5ZB4
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BU of 5zb4 by Molmil
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
5X8C
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BU of 5x8c by Molmil
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
5X8J
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K16M mutant of thermus thermophilus HB8 thymidylate kinase
Descriptor: FORMIC ACID, Thymidylate kinase
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-03
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
2V54
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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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