1AXW
 
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1BDU
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1BJG
 | | 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
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1BKO
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1BPJ
 | | 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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1BP0
 | | 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
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1BO7
 | | 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
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1BSF
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1BP6
 | | 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
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1BKP
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1BO8
 | | 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
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1BQ2
 | | 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
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1BQ1
 | | 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
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1BSP
 | | 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
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1CI7
 | | 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
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1DNA
 | | 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
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1DDU
 | | 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
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1EV8
 | | 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
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1EVF
 | | 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
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1EV5
 | | 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
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1EVG
 | | 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
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1F4D
 | | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE C146S, L143C COVALENTLY MODIFIED AT C143 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 (2.15 Å) | | Cite: | Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1F4F
 | | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-722 | | Descriptor: | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE, SULFATE ION, THYMIDYLATE SYNTHASE | | 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
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1F4B
 | | CRYSTAL STRUCTURE OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE | | Descriptor: | GLYCEROL, SULFATE ION, THYMIDYLATE SYNTHASE | | 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 (1.75 Å) | | Cite: | Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1F28
 | | CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII BOUND TO DUMP AND BW1843U89 | | 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: | Anderson, A.C, O'Neil, R.H, Surti, T.S, Stroud, R.M. | | Deposit date: | 2000-05-23 | | Release date: | 2001-06-06 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand docking.
Chem.Biol., 8, 2001
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