1ZPR
| 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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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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1KCE
| 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, Rutenber, E.E, Stout, T.J, Stroud, R.M. | Deposit date: | 1996-10-22 | Release date: | 1997-04-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 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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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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1AN5
| 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
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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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1AXW
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1BID
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1AOB
| 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
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1BDU
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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: | 2023-08-09 | 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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1TDU
| 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
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1TJS
| 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
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1TRG
| 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
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1NCE
| Crystal structure of a ternary complex of E. coli thymidylate synthase D169C with dUMP and the antifolate CB3717 | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Birdsall, D.L, Finer-Moore, J, Stroud, R.M. | Deposit date: | 2002-12-05 | Release date: | 2002-12-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The only active mutant of thymidylate synthase D169, a residue far from the
site of methyl transfer, demonstrates the exquisite nature of enzyme
specificity. Protein Eng., 16, 2003
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