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1TSD
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THYMIDYLATE SYNTHASE COMPLEX WITH 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) AND FOLATE ANALOG 1843U89
分子名称: 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, ...
著者Weichsel, A, Montfort, W.R.
登録日1995-08-15
公開日1996-01-29
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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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THYMIDYLATE SYNTHASE R179E MUTANT
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1995-12-05
公開日1996-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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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THYMIDYLATE SYNTHASE R179K MUTANT
分子名称: PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1995-12-05
公開日1996-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献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
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1997-09-17
公開日1998-01-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, PHOSPHATE ION, ...
著者Hyatt, D.C, Maley, F, Montfort, W.R.
登録日1996-12-02
公開日1997-07-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1997-09-17
公開日1998-01-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: DIHYDROFOLIC ACID, THYMIDINE-5'-PHOSPHATE, THYMIDYLATE SYNTHASE
著者Fauman, E, Rutenber, E, Stroud, R.
登録日1993-05-07
公開日1994-06-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Water-mediated substrate/product discrimination: the product complex of thymidylate synthase at 1.83 A.
Biochemistry, 33, 1994
1TSW
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THYMIDYLATE SYNTHASE R179A MUTANT
分子名称: PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1995-12-05
公開日1996-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1997-09-17
公開日1998-01-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1995-12-05
公開日1996-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.M.
登録日1995-12-05
公開日1996-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-1-ONE, PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Stout, T.J, Stroud, R.M.
登録日1997-06-12
公開日1998-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: 3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE, PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Stout, T.J, Stroud, R.M.
登録日1997-06-12
公開日1998-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Finer-Moore, J, Stroud, R.
登録日1993-04-02
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
著者Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R.
登録日1998-06-19
公開日1999-02-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献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
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M.
登録日1993-02-15
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, THYMIDYLATE SYNTHASE
著者Hyatt, D.C, Maley, F, Montfort, W.R.
登録日1996-12-03
公開日1997-07-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: 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
著者Weichsel, A, Montfort, W.R, Ciesla, J, Maley, F.
登録日1995-03-07
公開日1995-06-03
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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)
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1998-05-21
公開日1998-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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)
分子名称: 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
著者Stout, T.J, Stroud, R.M.
登録日1995-09-19
公開日1996-01-29
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, PROTEIN (DEOXYCYTIDYLATE HYDROXYMETHYLASE)
著者Song, H.K, Sohn, S.H, Suh, S.W.
登録日1999-01-06
公開日1999-01-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, PROTEIN (THYMIDYLATE SYNTHASE)
著者Fox, K.M, Maley, F, Garibian, A, Changchien, L, Vanroey, P.
登録日1998-11-16
公開日1999-03-29
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Strop, P, Montfort, W.R.
登録日1997-04-23
公開日1997-11-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1997-06-26
公開日1998-07-01
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1AXW
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E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, THYMIDYLATE SYNTHASE
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1997-10-23
公開日1998-10-28
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function
To be Published

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