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2G89
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L. casei thymidylate synthase Y261A in complex with substrate, dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
Authors:Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-02
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
2KCE
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BINDING OF THE ANTICANCER DRUG ZD1694 TO E. COLI THYMIDYLATE SYNTHASE: ASSESSING SPECIFICITY AND AFFINITY
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
Authors:Rutenber, E.E, Stroud, R.M.
Deposit date:1997-06-09
Release date:1997-11-19
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of the anticancer drug ZD1694 to E. coli thymidylate synthase: assessing specificity and affinity.
Structure, 4, 1996
5H38
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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
5H3A
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BU of 5h3a by Molmil
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
5H39
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BU of 5h39 by Molmil
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
5HS3
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Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol, Thymidylate synthase
Authors:Chen, D, Almqvist, H, Axelsson, H, Jafari, R, Mateus, A, Haraldsson, M, Larsson, A, Artursson, P, Molina, D.M, Lundback, T, Nordlund, P.
Deposit date:2016-01-25
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:CETSA screening identifies known and novel thymidylate synthase inhibitors and slow intracellular activation of 5-fluorouracil
Nat Commun, 7, 2016
5J7W
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BU of 5j7w by Molmil
Enterococcus faecalis thymidylate synthase complex with methotrexate
Descriptor: METHOTREXATE, SULFATE ION, Thymidylate synthase
Authors:Mangani, S, Pozzi, C.
Deposit date:2016-04-07
Release date:2016-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors.
Eur.J.Med.Chem., 123, 2016
5JNH
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Crystal Structure of cytidine monophosphate hydroxymethylase MilA
Descriptor: CMP 5-hydroxymethylase
Authors:Zhao, G, He, X.
Deposit date:2016-04-30
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Structural basis of the substrate preference towards CMP for a thymidylate synthase MilA involved in mildiomycin biosynthesis
Sci Rep, 6, 2016
4ISW
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BU of 4isw by Molmil
Crystal Structure of Phosphorylated C.elegans Thymidylate Synthase in Complex with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W.
Deposit date:2013-01-17
Release date:2013-12-11
Last modified:2014-01-15
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structure of phosphoramide-phosphorylated thymidylate synthase reveals pSer127, reflecting probably pHis to pSer phosphotransfer.
Bioorg.Chem., 52C, 2013
2TSR
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BU of 2tsr by Molmil
THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
Authors:Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R.
Deposit date:1998-06-19
Release date:1999-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
1FFL
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BU of 1ffl by Molmil
CRYSTAL STRUCTURE OF THE APO-THYMIDYLATE SYNTHASE R166Q MUTANT
Descriptor: THYMIDYLATE SYNTHASE
Authors:Sotelo-Mundo, R.R, Changchien, L, Maley, F, Montfort, W.R.
Deposit date:2000-07-25
Release date:2000-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Crystal structures of thymidylate synthase mutant R166Q: Structural basis for the nearly complete loss of catalytic activity.
J.Biochem.Mol.Toxicol., 20, 2006
2RDA
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BU of 2rda by Molmil
Human Thymidylate Synthase Stabilized in Active Conformation by R163K Mutation: Asymmetry and Reactivity of Cys195
Descriptor: BETA-MERCAPTOETHANOL, PHOSPHATE ION, Thymidylate synthase
Authors:Gibson, L.M, Lovelace, L.L, Lebioda, L.
Deposit date:2007-09-21
Release date:2008-06-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:The R163K mutant of human thymidylate synthase is stabilized in an active conformation: structural asymmetry and reactivity of cysteine 195.
Biochemistry, 47, 2008
2TSC
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BU of 2tsc by Molmil
STRUCTURE, MULTIPLE SITE BINDING, AND SEGMENTAL ACCOMODATION IN THYMIDYLATE SYNTHASE ON BINDING D/UMP AND AN ANTI-FOLATE
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Montfort, W.R, Stroud, R.M.
Deposit date:1991-07-03
Release date:1991-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure, multiple site binding, and segmental accommodation in thymidylate synthase on binding dUMP and an anti-folate.
Biochemistry, 29, 1990
4KPW
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BU of 4kpw by Molmil
Crystal structure of His-tagged human thymidylate synthase R175A mutant
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase
Authors:Pozzi, C, Mangani, S.
Deposit date:2013-05-14
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Hotspots in an obligate homodimeric anticancer target. Structural and functional effects of interfacial mutations in human thymidylate synthase.
J.Med.Chem., 58, 2015
2VF0
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BU of 2vf0 by Molmil
CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH 5NO2DUMP AND BW1843U89
Descriptor: 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, SULFATE ION, ...
Authors:Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R.
Deposit date:2007-10-27
Release date:2007-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Role of an Invariant Lysine Residue in Folate Binding on Escherichia Coli Thymidylate Synthase: Calorimetric and Crystallographic Analysis of the K48Q Mutant.
Int.J.Biochem.Cell Biol., 40, 2008
2VET
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BU of 2vet by Molmil
CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH DUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R.
Deposit date:2007-10-26
Release date:2007-12-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Role of an Invariant Lysine Residue in Folate Binding on Escherichia Coli Thymidylate Synthase: Calorimetric and Crystallographic Analysis of the K48Q Mutant.
Int.J.Biochem.Cell Biol., 40, 2008
1FWM
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BU of 1fwm by Molmil
Crystal structure of the thymidylate synthase R166Q mutant
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Sotelo-Mundo, R.R, Changchien, L, Maley, F, Montfort, W.R.
Deposit date:2000-09-23
Release date:2003-11-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of thymidylate synthase mutant R166Q: Structural basis for the nearly complete loss of catalytic activity.
J.Biochem.Mol.Toxicol., 20, 2006
4JEF
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BU of 4jef by Molmil
Crystal structure of human thymidylate synthase Y202A in inactive conformation.
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Tochowicz, A, Stroud, R.M, Wade, R.C.
Deposit date:2013-02-26
Release date:2014-08-20
Last modified:2015-05-06
Method:X-RAY DIFFRACTION (2.311 Å)
Cite:Hotspots in an obligate homodimeric anticancer target. Structural and functional effects of interfacial mutations in human thymidylate synthase.
J.Med.Chem., 58, 2015
1HW3
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BU of 1hw3 by Molmil
STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
Deposit date:2001-01-09
Release date:2001-01-24
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
1HVY
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Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, THYMIDYLATE SYNTHASE, ...
Authors:Phan, J, Koli, S, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
Deposit date:2001-01-08
Release date:2001-01-31
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human thymidylate synthase is in the closed conformation when complexed with dUMP and raltitrexed, an antifolate drug
Biochemistry, 40, 2001
2TDM
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BU of 2tdm by Molmil
STRUCTURE OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-03-28
Release date:1997-08-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Refined structures of substrate-bound and phosphate-bound thymidylate synthase from Lactobacillus casei.
J.Mol.Biol., 232, 1993
1HW4
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BU of 1hw4 by Molmil
STRUCTURE OF THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
Deposit date:2001-01-09
Release date:2001-01-24
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
2TDD
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BU of 2tdd by Molmil
STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, THYMIDYLATE SYNTHASE
Authors:Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M.
Deposit date:1993-04-05
Release date:1993-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate.
Biochemistry, 32, 1993
1HZW
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BU of 1hzw by Molmil
CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Almog, R, Waddling, C.A, Maley, F, Maley, G.F, Van Roey, P.
Deposit date:2001-01-26
Release date:2001-05-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a deletion mutant of human thymidylate synthase Delta (7-29) and its ternary complex with Tomudex and dUMP.
Protein Sci., 10, 2001
1I00
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BU of 1i00 by Molmil
CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE, TERNARY COMPLEX WITH DUMP AND TOMUDEX
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
Authors:Almog, R.A, Waddling, C.A, Maley, F, Maley, G.F, Van Roey, P.
Deposit date:2001-01-27
Release date:2001-05-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a deletion mutant of human thymidylate synthase Delta (7-29) and its ternary complex with Tomudex and dUMP.
Protein Sci., 10, 2001

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