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1BP6
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BU of 1bp6 by Molmil
THYMIDYLATE SYNTHASE R23I, R179T DOUBLE MUTANT
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE)
Authors:Morse, R.J, Finer-Moore, J.S, Stroud, R.M.
Deposit date:1998-08-13
Release date:1998-08-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
1BO8
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BU of 1bo8 by Molmil
THYMIDYLATE SYNTHASE R178T MUTANT
Descriptor: POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE), URIDINE-5'-MONOPHOSPHATE
Authors:Morse, R, Finer-Moore, J, Stroud, R.M.
Deposit date:1998-08-10
Release date:1998-08-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Energetic contributions of four arginines to phosphate-binding in thymidylate synthase are more than additive and depend on optimization of "effective charge balance".
Biochemistry, 39, 2000
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
1DDU
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BU of 1ddu by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH CB3717 AND 2',5'-DIDEOXYURIDINE (DDURD)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-5'DIDEOXYURIDINE, PHOSPHATE ION, ...
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-26
Release date:1998-07-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
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
1BDU
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BU of 1bdu by Molmil
E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DURD
Descriptor: 2'-DEOXYURIDINE, PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-27
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1BID
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BU of 1bid by Molmil
E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-27
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1AOB
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BU of 1aob by Molmil
E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DDURD
Descriptor: 2'-5'DIDEOXYURIDINE, FORMIC ACID, PHOSPHATE ION, ...
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-30
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1TJS
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BU of 1tjs by Molmil
E. COLI THYMIDYLATE SYNTHASE
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-27
Release date:1998-07-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1TDU
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BU of 1tdu by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE (DURD)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE, PHOSPHATE ION, ...
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-25
Release date:1998-07-01
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
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
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
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
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
1JMI
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BU of 1jmi by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2024-02-07
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
1JMF
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BU of 1jmf by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2024-02-07
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
1JMH
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BU of 1jmh by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2024-02-07
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
1JMG
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BU of 1jmg by Molmil
CONTRIBUTIONS OF ORIENTATION AND HYDROGEN BONDING TO CATALYSIS IN ASN-229 MUTANTS OF THYMIDYLATE SYNTHASE
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Finer-Moore, J, Stroud, R.M.
Deposit date:1997-09-13
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contributions of orientation and hydrogen bonding to catalysis in Asn229 mutants of thymidylate synthase.
J.Mol.Biol., 276, 1998
2KCE
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BU of 2kce by Molmil
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:2012-10-10
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
1AJM
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BU of 1ajm by Molmil
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT
Descriptor: THYMIDYLATE SYNTHASE
Authors:Strop, P, Montfort, W.R.
Deposit date:1997-05-06
Release date:1997-11-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of a marginally active thymidylate synthase mutant, Arg 126-->Glu.
Protein Sci., 6, 1997
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
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
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
1ZPR
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BU of 1zpr by Molmil
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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