4XSD
 
 | | Complex structure of thymidylate synthase from varicella zoster virus with a dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Hew, K. | | Deposit date: | 2015-01-22 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the Varicella Zoster Virus Thymidylate Synthase Establishes Functional and Structural Similarities as the Human Enzyme and Potentiates Itself as a Target of Brivudine.
Plos One, 10, 2015
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2AAZ
 | | Cryptococcus neoformans thymidylate synthase complexed with substrate and an antifolate | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | | Deposit date: | 2005-07-14 | | Release date: | 2005-12-06 | | Last modified: | 2018-02-14 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition.
Acta Crystallogr.,Sect.D, 61, 2005
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5X5A
 | | Human thymidylate synthase bound with phosphate ion | | Descriptor: | PHOSPHATE ION, Thymidylate synthase | | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | Deposit date: | 2017-02-15 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
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5X66
 | | Human thymidylate synthase in complex with dUMP and methotrexate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate synthase | | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | Deposit date: | 2017-02-21 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
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2A9W
 | | E. coli TS complexed with dUMP and inhibitor GA9 | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-BROMOPHENOL, 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE, ... | | Authors: | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | | Deposit date: | 2005-07-12 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition.
Acta Crystallogr.,Sect.D, 61, 2005
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1ZPR
 | | E. COLI THYMIDYLATE SYNTHASE MUTANT E58Q IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Sage, C.R, Stout, T.J, Rutenber, E.E, Stroud, R.M. | | Deposit date: | 1996-10-15 | | Release date: | 1997-07-07 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | An essential role for water in an enzyme reaction mechanism: the crystal structure of the thymidylate synthase mutant E58Q.
Biochemistry, 35, 1996
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4XSC
 | | Complex structure of thymidylate synthase from varicella zoster virus with a phosphorylated BVDU | | Descriptor: | (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, PENTAETHYLENE GLYCOL, Thymidylate synthase | | Authors: | Hew, K. | | Deposit date: | 2015-01-22 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | Structure of the Varicella Zoster Virus Thymidylate Synthase Establishes Functional and Structural Similarities as the Human Enzyme and Potentiates Itself as a Target of Brivudine.
Plos One, 10, 2015
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4LRR
 | | Ternary complex between E. coli thymidylate synthase, dUMP, and F9 | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate, SULFATE ION, ... | | Authors: | Mangani, S, Pozzi, C, Ferrari, S, Costi, M.P. | | Deposit date: | 2013-07-20 | | Release date: | 2013-11-06 | | Last modified: | 2013-12-11 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | 2'-Deoxyuridine 5'-Monophosphate Substrate Displacement in Thymidylate Synthase through 6-Hydroxy-2H-naphtho[1,8-bc]furan-2-one Derivatives.
J.Med.Chem., 56, 2013
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4O1X
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4O7U
 | | Etherocomplex of Enteroccocus faecalis thymidylate synthase with 5-hydroxymethilene-6-hydrofolic acid and the phtalimidic inhibitor SS7 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, ... | | Authors: | Mangani, S, Pozzi, C. | | Deposit date: | 2013-12-26 | | Release date: | 2014-12-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors.
Eur.J.Med.Chem., 123, 2016
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4PSG
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4O1U
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1NJE
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5H38
 | | Structural analysis of KSHV thymidylate synthase | | Descriptor: | ORF70, PHOSPHATE ION | | Authors: | Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y. | | Deposit date: | 2016-10-21 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed.
PLoS ONE, 11, 2016
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5H3A
 | | Structural analysis of KSHV thymidylate synthase | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ORF70, TOMUDEX | | Authors: | Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y. | | Deposit date: | 2016-10-21 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed.
PLoS ONE, 11, 2016
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5H39
 | | Structural analysis of KSHV thymidylate synthase | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ORF70 | | Authors: | Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y. | | Deposit date: | 2016-10-21 | | Release date: | 2017-01-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed.
PLoS ONE, 11, 2016
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6NNR
 | | high-resolution structure of wild-type E. coli thymidylate synthase | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Stroud, R.M, Finer-Moore, J. | | Deposit date: | 2019-01-15 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Mg2+ binds to the surface of thymidylate synthase and affects hydride transfer at the interior active site.
J. Am. Chem. Soc., 135, 2013
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3UWL
 | | Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with 5-formyl tetrahydrofolate | | Descriptor: | 1,2-ETHANEDIOL, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | | Authors: | Pozzi, C, Catalano, A, Cortesi, D, Luciani, R, Ferrari, S, Fritz, T, Costi, M.P, Mangani, S. | | Deposit date: | 2011-12-02 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The structure of Enterococcus faecalis thymidylate synthase provides clues about folate bacterial metabolism.
Acta Crystallogr.,Sect.D, 68, 2012
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1VZB
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1NCE
 | | Crystal structure of a ternary complex of E. coli thymidylate synthase D169C with dUMP and the antifolate CB3717 | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Birdsall, D.L, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2002-12-05 | | Release date: | 2002-12-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The only active mutant of thymidylate synthase D169, a residue far from the
site of methyl transfer, demonstrates the exquisite nature of enzyme
specificity.
Protein Eng., 16, 2003
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6OJV
 | | Crystal structure of human thymidylate synthase delta(7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid, Thymidylate synthase,Thymidylate synthase | | Authors: | Czyzyk, D.J, Anderson, K.S, Valhondo, M, Jorgensen, W.L. | | Deposit date: | 2019-04-12 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.593 Å) | | Cite: | Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase.
Febs Lett., 593, 2019
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1VZE
 | | L. CASEI THYMIDYLATE SYNTHASE MUTANT E60Q TERNARY COMPLEX WITH DUMP AND CB3717 | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Birdsall, D.L, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1996-09-18 | | Release date: | 1997-03-12 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
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1VZD
 | | L. CASEI THYMIDYLATE SYNTHASE MUTANT E60Q TERNARY COMPLEX WITH FDUMP AND CB3717 | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Birdsall, D.L, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1996-09-18 | | Release date: | 1997-03-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The separate effects of E60Q in Lactobacillus casei thymidylate synthase delineate between mechanisms for formation of intermediates in catalysis.
Protein Eng., 11, 1998
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1VZA
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6OJU
 | | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic acid, Thymidylate synthase,Thymidylate synthase | | Authors: | Czyzyk, D.J, Anderson, K.S, Valhondo, M, Jorgensen, W.L. | | Deposit date: | 2019-04-12 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.884 Å) | | Cite: | Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase.
Febs Lett., 593, 2019
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