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1F4C
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CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COVALENTLY MODIFIED AT C146 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL
Descriptor: GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ...
Authors:Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
Deposit date:2000-06-07
Release date:2000-06-22
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1EV8
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CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI
Descriptor: THYMIDYLATE SYNTHASE
Authors:Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
Deposit date:2000-04-19
Release date:2000-05-03
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1EVF
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CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI
Descriptor: SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
Deposit date:2000-04-19
Release date:2000-05-03
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1EV5
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CRYSTAL STRUCTURE ANALYSIS OF ALA167 MUTANT OF ESCHERICHIA COLI
Descriptor: SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
Deposit date:2000-04-19
Release date:2000-05-03
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1EVG
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BU of 1evg by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI WITH UNMODIFIED CATALYTIC CYSTEINE
Descriptor: SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
Deposit date:2000-04-19
Release date:2000-05-03
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1CI7
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TERNARY COMPLEX OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, PROTEIN (THYMIDYLATE SYNTHASE)
Authors:Anderson, A.C, O'Neil, R.H, Delano, W.L, Stroud, R.M.
Deposit date:1999-04-08
Release date:2000-04-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structural mechanism for half-the-sites reactivity in an enzyme, thymidylate synthase, involves a relay of changes between subunits.
Biochemistry, 38, 1999
1BP0
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THYMIDYLATE SYNTHASE R23I MUTANT
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, POTASSIUM ION, PROTEIN (THYMIDYLATE SYNTHASE)
Authors:Morse, R, Finer-Moore, J, Stroud, R.M.
Deposit date:1998-08-11
Release date:2000-01-12
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
1QQQ
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CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE
Descriptor: SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T.
Deposit date:1999-06-07
Release date:1999-06-14
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254.
Mol.Pharmacol., 57, 2000
1BQ1
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E. COLI THYMIDYLATE SYNTHASE MUTANT N177A IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M.
Deposit date:1998-08-20
Release date:1999-05-18
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer.
J.Mol.Biol., 284, 1998
1BQ2
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E. COLI THYMIDYLATE SYNTHASE MUTANT N177A
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE
Authors:Reyes, C.L, Sage, C.R, Rutenber, E.E, Finer-Moore, J.S, Stroud, R.M.
Deposit date:1998-08-20
Release date:1999-04-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inactivity of N229A thymidylate synthase due to water-mediated effects: isolating a late stage in methyl transfer.
J.Mol.Biol., 284, 1998
1B02
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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
1BSP
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BU of 1bsp by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-09
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
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
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
1BKO
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BU of 1bko by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-09
Release date:1999-02-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1BKP
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THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-09
Release date:1999-02-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
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
1B5D
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BU of 1b5d by Molmil
DCMP Hydroxymethylase from T4 (Intact)
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 (2.2 Å)
Cite:Crystal structure of deoxycytidylate hydroxymethylase from bacteriophage T4, a component of the deoxyribonucleoside triphosphate-synthesizing complex.
EMBO J., 18, 1999
1B49
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DCMP HYDROXYMETHYLASE FROM T4 (PHOSPHATE-BOUND)
Descriptor: PHOSPHATE ION, 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 (2.3 Å)
Cite:Crystal structure of deoxycytidylate hydroxymethylase from bacteriophage T4, a component of the deoxyribonucleoside triphosphate-synthesizing complex.
EMBO J., 18, 1999
1BSF
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THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-10
Release date:1999-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1DNA
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D221(169)N MUTANT DOES NOT PROMOTE OPENING OF THE COFACTOR IMIDAZOLIDINE RING
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Sage, C.R, Michelitsch, M.D, Finer-Moore, J, Stroud, R.M.
Deposit date:1998-06-25
Release date:1998-11-04
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:D221 in thymidylate synthase controls conformation change, and thereby opening of the imidazolidine.
Biochemistry, 37, 1998
1BJG
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D221(169)N MUTANT DOES NOT PROMOTE OPENING OF THE COFACTOR IMIDAZOLIDINE RING
Descriptor: 5,10-METHYLENE-6-HYDROFOLIC ACID, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Sage, C.R, Michelitsch, M.D, Finer-Moore, J, Stroud, R.M.
Deposit date:1998-06-25
Release date:1998-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:D221 in thymidylate synthase controls conformation change, and thereby opening of the imidazolidine.
Biochemistry, 37, 1998
1AXW
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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
To be Published
1BO7
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THYMIDYLATE SYNTHASE R179T MUTANT
Descriptor: 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
1BPJ
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THYMIDYLATE SYNTHASE R178T, 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:1998-08-11
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

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