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1TSD
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BU of 1tsd by Molmil
THYMIDYLATE SYNTHASE COMPLEX WITH 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) AND FOLATE ANALOG 1843U89
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, ...
Authors:Weichsel, A, Montfort, W.R.
Deposit date:1995-08-15
Release date:1996-01-29
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ligand-induced distortion of an active site in thymidylate synthase upon binding anticancer drug 1843U89.
Nat.Struct.Biol., 2, 1995
1TSX
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BU of 1tsx by Molmil
THYMIDYLATE SYNTHASE R179E MUTANT
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1995-12-05
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
1TSZ
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BU of 1tsz by Molmil
THYMIDYLATE SYNTHASE R179K MUTANT
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1995-12-05
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
1TVU
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BU of 1tvu by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-17
Release date:1998-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1TSN
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BU of 1tsn by Molmil
THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH FDUMP AND METHYLENETETRAHYDROFOLATE
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, PHOSPHATE ION, ...
Authors:Hyatt, D.C, Maley, F, Montfort, W.R.
Deposit date:1996-12-02
Release date:1997-07-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Use of strain in a stereospecific catalytic mechanism: crystal structures of Escherichia coli thymidylate synthase bound to FdUMP and methylenetetrahydrofolate.
Biochemistry, 36, 1997
1TVW
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BU of 1tvw by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-17
Release date:1998-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1TYS
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BU of 1tys by Molmil
WATER-MEDIATED SUBSTRATE(SLASH)PRODUCT DISCRIMINATION: THE PRODUCT COMPLEX OF THYMIDYLATE SYNTHASE AT 1.83 ANGSTROMS
Descriptor: DIHYDROFOLIC ACID, THYMIDINE-5'-PHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Fauman, E, Rutenber, E, Stroud, R.
Deposit date:1993-05-07
Release date:1994-06-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Water-mediated substrate/product discrimination: the product complex of thymidylate synthase at 1.83 A.
Biochemistry, 33, 1994
1TSW
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BU of 1tsw by Molmil
THYMIDYLATE SYNTHASE R179A MUTANT
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1995-12-05
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
1TVV
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BU of 1tvv by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-17
Release date:1998-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
1TSV
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BU of 1tsv by Molmil
THYMIDYLATE SYNTHASE R179A MUTANT
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1995-12-05
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
1TSY
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BU of 1tsy by Molmil
THYMIDYLATE SYNTHASE R179K MUTANT
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1995-12-05
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contribution of a salt bridge to binding affinity and dUMP orientation to catalytic rate: mutation of a substrate-binding arginine in thymidylate synthase.
Protein Eng., 9, 1996
1TSL
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BU of 1tsl by Molmil
L. CASEI THYMIDYLATE SYNTHASE WITH SPECIES SPECIFIC INHIBITOR
Descriptor: 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-1-ONE, PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Stroud, R.M.
Deposit date:1997-06-12
Release date:1998-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design of inhibitors specific for bacterial thymidylate synthase.
Biochemistry, 38, 1999
1TSM
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BU of 1tsm by Molmil
L. CASEI THYMIDYLATE SYNTHASE WITH SPECIES SPECIFIC INHIBITOR
Descriptor: 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE, PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Stroud, R.M.
Deposit date:1997-06-12
Release date:1998-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-based design of inhibitors specific for bacterial thymidylate synthase.
Biochemistry, 38, 1999
1THY
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BU of 1thy by Molmil
REFINED STRUCTURES OF SUBSTRATE-BOUND AND PHOSPHATE-BOUND THYMIDYLATE SYNTHASE FROM LACTOBACILLUS CASEI
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.
Deposit date:1993-04-02
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Refined structures of substrate-bound and phosphate-bound thymidylate synthase from Lactobacillus casei.
J.Mol.Biol., 232, 1993
1RTS
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BU of 1rts 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:2024-02-14
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
1TDC
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BU of 1tdc by Molmil
STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M.
Deposit date:1993-02-15
Release date:1993-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.65 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
1TLS
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BU of 1tls by Molmil
THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH FDUMP AND METHYLENETETRAHYDROFOLATE
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, THYMIDYLATE SYNTHASE
Authors:Hyatt, D.C, Maley, F, Montfort, W.R.
Deposit date:1996-12-03
Release date:1997-07-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Use of strain in a stereospecific catalytic mechanism: crystal structures of Escherichia coli thymidylate synthase bound to FdUMP and methylenetetrahydrofolate.
Biochemistry, 36, 1997
1TLC
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BU of 1tlc by Molmil
THYMIDYLATE SYNTHASE COMPLEXED WITH DGMP AND FOLATE ANALOG 1843U89
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, THYMIDYLATE SYNTHASE
Authors:Weichsel, A, Montfort, W.R, Ciesla, J, Maley, F.
Deposit date:1995-03-07
Release date:1995-06-03
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Promotion of purine nucleotide binding to thymidylate synthase by a potent folate analogue inhibitor, 1843U89.
Proc.Natl.Acad.Sci.USA, 92, 1995
1TRG
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BU of 1trg by Molmil
E. COLI THYMIDYLATE SYNTHASE IN SYMMETRIC COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1998-05-21
Release date:1998-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1SYN
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BU of 1syn by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH BW1843U89 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Stroud, R.M.
Deposit date:1995-09-19
Release date:1996-01-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:The complex of the anti-cancer therapeutic, BW1843U89, with thymidylate synthase at 2.0 A resolution: implications for a new mode of inhibition.
Structure, 4, 1996
1B5E
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BU of 1b5e by Molmil
DCMP HYDROXYMETHYLASE FROM T4
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, PROTEIN (DEOXYCYTIDYLATE HYDROXYMETHYLASE)
Authors:Song, H.K, Sohn, S.H, Suh, S.W.
Deposit date:1999-01-06
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of deoxycytidylate hydroxymethylase from bacteriophage T4, a component of the deoxyribonucleoside triphosphate-synthesizing complex.
EMBO J., 18, 1999
1B02
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BU of 1b02 by Molmil
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, PROTEIN (THYMIDYLATE SYNTHASE)
Authors:Fox, K.M, Maley, F, Garibian, A, Changchien, L, Vanroey, P.
Deposit date:1998-11-16
Release date:1999-03-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of thymidylate synthase A from Bacillus subtilis.
Protein Sci., 8, 1999
1AIQ
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BU of 1aiq by Molmil
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Strop, P, Montfort, W.R.
Deposit date:1997-04-23
Release date:1997-11-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of a marginally active thymidylate synthase mutant, Arg 126-->Glu.
Protein Sci., 6, 1997
1AN5
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BU of 1an5 by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH CB3717
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-26
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1AXW
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BU of 1axw by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-10-23
Release date:1998-10-28
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function
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