2FR0
 
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2FR1
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2G8A
 | | Lactobacillus casei Y261M in complex with substrate, dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase | | Authors: | Finer-Moore, J.S, Stroud, R.M. | | Deposit date: | 2006-03-02 | | Release date: | 2006-03-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
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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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1EXQ
 | | CRYSTAL STRUCTURE OF THE HIV-1 INTEGRASE CATALYTIC CORE DOMAIN | | Descriptor: | CADMIUM ION, CHLORIDE ION, POL POLYPROTEIN, ... | | Authors: | Chen, J.C.-H, Krucinski, J, Miercke, L.J.W, Finer-Moore, J.S, Tang, A.H, Leavitt, A.D, Stroud, R.M. | | Deposit date: | 2000-05-03 | | Release date: | 2000-11-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the HIV-1 integrase catalytic core and C-terminal domains: a model for viral DNA binding.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1EX4
 | | HIV-1 INTEGRASE CATALYTIC CORE AND C-TERMINAL DOMAIN | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, INTEGRASE | | Authors: | Chen, J.C.-H, Krucinski, J, Miercke, L.J.W, Finer-Moore, J.S, Tang, A.H, Leavitt, A.D, Stroud, R.M. | | Deposit date: | 2000-04-28 | | Release date: | 2000-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the HIV-1 integrase catalytic core and C-terminal domains: a model for viral DNA binding.
Proc.Natl.Acad.Sci.USA, 97, 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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1JTU
 | | E. coli Thymidylate Synthase in a Complex with dUMP and LY338913, A Polyglutamylated Pyrrolo(2,3-d)pyrimidine-based Antifolate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | | Deposit date: | 2001-08-22 | | Release date: | 2001-09-19 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
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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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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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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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1F4E
 | | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH TOSYL-D-PROLINE | | 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 (1.9 Å) | | Cite: | Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1F4G
 | | CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-876 | | Descriptor: | GLYCEROL, N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID, 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 (1.75 Å) | | Cite: | Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1F4C
 | | 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
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1FL1
 | | KSHV PROTEASE | | Descriptor: | POTASSIUM ION, PROTEASE | | Authors: | Reiling, K.K, Pray, T.R, Craik, C.S, Stroud, R.M. | | Deposit date: | 2000-08-11 | | Release date: | 2000-11-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Functional consequences of the Kaposi's sarcoma-associated herpesvirus protease structure: regulation of activity and dimerization by conserved structural elements.
Biochemistry, 39, 2000
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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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1FFH
 | | N AND GTPASE DOMAINS OF THE SIGNAL SEQUENCE RECOGNITION PROTEIN FFH FROM THERMUS AQUATICUS | | Descriptor: | FFH, MAGNESIUM ION | | Authors: | Freymann, D.M, Keenan, R.J, Stroud, R.M, Walter, P. | | Deposit date: | 1996-12-30 | | Release date: | 1997-12-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of the conserved GTPase domain of the signal recognition particle.
Nature, 385, 1997
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1FX8
 | | CRYSTAL STRUCTURE OF THE E. COLI GLYCEROL FACILITATOR (GLPF) WITH SUBSTRATE GLYCEROL | | Descriptor: | GLYCEROL, GLYCEROL UPTAKE FACILITATOR PROTEIN, octyl beta-D-glucopyranoside | | Authors: | Fu, D, Libson, A, Miercke, L.J.W, Weitzman, C, Nollert, P, Stroud, R.M. | | Deposit date: | 2000-09-25 | | Release date: | 2000-11-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a glycerol-conducting channel and the basis for its selectivity.
Science, 290, 2000
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1I5P
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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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1NJE
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1NJB
 | | THYMIDYLATE SYNTHASE | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1996-01-23 | | Release date: | 1996-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase.
Biochemistry, 35, 1996
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1NJD
 | | THYMIDYLATE SYNTHASE, MUTATION, N229D WITH 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1996-01-23 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase.
Biochemistry, 35, 1996
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1NJA
 | | THYMIDYLATE SYNTHASE, MUTATION, N229C WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP) | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1996-01-23 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase.
Biochemistry, 35, 1996
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1NJC
 | | THYMIDYLATE SYNTHASE, MUTATION, N229D WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP) | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1996-01-23 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase.
Biochemistry, 35, 1996
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