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PDB: 334 件
4FOG
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Crystal Structure of Mtb ThyA in Complex with 5-Fluoro-dUMP and 5-methyltetrahydrofolic acid
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-06-20
公開日2013-08-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
4FOX
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Crystal Structure of Mtb ThyA in complex with dUMP and Raltitrexed
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
著者Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, Harshbarger, W, TB Structural Genomics Consortium (TBSGC)
登録日2012-06-21
公開日2013-08-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
4GD7
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Wild-Type Human Thymidylate Synthase with bound Purpurogallin
分子名称: 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, SULFATE ION, ...
著者Celeste, L.R, Lebioda, L.
登録日2012-07-31
公開日2013-07-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be published, 2012
4GEV
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E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, Thymidylate synthase
著者Newby, Z, Lee, T.T, Finer-Moore, J, Stroud, R.M.
登録日2012-08-02
公開日2012-08-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A remote mutation affects the hydride transfer by disrupting concerted protein motions in thymidylate synthase.
J.Am.Chem.Soc., 134, 2012
1EVF
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CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI
分子名称: SULFATE ION, THYMIDYLATE SYNTHASE
著者Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
登録日2000-04-19
公開日2000-05-03
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1F4D
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CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE C146S, L143C COVALENTLY MODIFIED AT C143 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL
分子名称: GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ...
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4F
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CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-722
分子名称: 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE, SULFATE ION, THYMIDYLATE SYNTHASE
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F28
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CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII BOUND TO DUMP AND BW1843U89
分子名称: 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
著者Anderson, A.C, O'Neil, R.H, Surti, T.S, Stroud, R.M.
登録日2000-05-23
公開日2001-06-06
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand docking.
Chem.Biol., 8, 2001
1FWM
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Crystal structure of the thymidylate synthase R166Q mutant
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, SULFATE ION, THYMIDYLATE SYNTHASE
著者Sotelo-Mundo, R.R, Changchien, L, Maley, F, Montfort, W.R.
登録日2000-09-23
公開日2003-11-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of thymidylate synthase mutant R166Q: Structural basis for the nearly complete loss of catalytic activity.
J.Biochem.Mol.Toxicol., 20, 2006
1DNA
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D221(169)N MUTANT DOES NOT PROMOTE OPENING OF THE COFACTOR IMIDAZOLIDINE RING
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Sage, C.R, Michelitsch, M.D, Finer-Moore, J, Stroud, R.M.
登録日1998-06-25
公開日1998-11-04
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献D221 in thymidylate synthase controls conformation change, and thereby opening of the imidazolidine.
Biochemistry, 37, 1998
1DDU
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E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH CB3717 AND 2',5'-DIDEOXYURIDINE (DDURD)
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-5'DIDEOXYURIDINE, PHOSPHATE ION, ...
著者Stout, T.J, Sage, C.R, Stroud, R.M.
登録日1997-06-26
公開日1998-07-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1FFL
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CRYSTAL STRUCTURE OF THE APO-THYMIDYLATE SYNTHASE R166Q MUTANT
分子名称: THYMIDYLATE SYNTHASE
著者Sotelo-Mundo, R.R, Changchien, L, Maley, F, Montfort, W.R.
登録日2000-07-25
公開日2000-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Crystal structures of thymidylate synthase mutant R166Q: Structural basis for the nearly complete loss of catalytic activity.
J.Biochem.Mol.Toxicol., 20, 2006
1HW3
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STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS
分子名称: 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE
著者Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
登録日2001-01-09
公開日2001-01-24
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
1HVY
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Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, THYMIDYLATE SYNTHASE, ...
著者Phan, J, Koli, S, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
登録日2001-01-08
公開日2001-01-31
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human thymidylate synthase is in the closed conformation when complexed with dUMP and raltitrexed, an antifolate drug
Biochemistry, 40, 2001
1HW4
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STRUCTURE OF THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS
分子名称: 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE
著者Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
登録日2001-01-09
公開日2001-01-24
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
1HZW
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CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE
分子名称: PHOSPHATE ION, THYMIDYLATE SYNTHASE
著者Almog, R, Waddling, C.A, Maley, F, Maley, G.F, Van Roey, P.
登録日2001-01-26
公開日2001-05-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a deletion mutant of human thymidylate synthase Delta (7-29) and its ternary complex with Tomudex and dUMP.
Protein Sci., 10, 2001
1I00
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CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE, TERNARY COMPLEX WITH DUMP AND TOMUDEX
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
著者Almog, R.A, Waddling, C.A, Maley, F, Maley, G.F, Van Roey, P.
登録日2001-01-27
公開日2001-05-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a deletion mutant of human thymidylate synthase Delta (7-29) and its ternary complex with Tomudex and dUMP.
Protein Sci., 10, 2001
1F4B
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CRYSTAL STRUCTURE OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE
分子名称: GLYCEROL, SULFATE ION, THYMIDYLATE SYNTHASE
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4G
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CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH SP-876
分子名称: GLYCEROL, N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID, SULFATE ION, ...
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4C
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CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COVALENTLY MODIFIED AT C146 WITH N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL
分子名称: GLYCEROL, N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL, SULFATE ION, ...
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F4E
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CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH TOSYL-D-PROLINE
分子名称: GLYCEROL, SULFATE ION, THYMIDYLATE SYNTHASE, ...
著者Erlanson, D.A, Braisted, A.C, Raphael, D.R, Randal, M, Stroud, R.M, Gordon, E, Wells, J.A.
登録日2000-06-07
公開日2000-06-22
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Site-directed ligand discovery.
Proc.Natl.Acad.Sci.USA, 97, 2000
1EV5
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CRYSTAL STRUCTURE ANALYSIS OF ALA167 MUTANT OF ESCHERICHIA COLI
分子名称: SULFATE ION, THYMIDYLATE SYNTHASE
著者Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
登録日2000-04-19
公開日2000-05-03
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1EVG
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CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI WITH UNMODIFIED CATALYTIC CYSTEINE
分子名称: SULFATE ION, THYMIDYLATE SYNTHASE
著者Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
登録日2000-04-19
公開日2000-05-03
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1EV8
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CRYSTAL STRUCTURE ANALYSIS OF CYS167 MUTANT OF ESCHERICHIA COLI
分子名称: THYMIDYLATE SYNTHASE
著者Phan, J, Mahdavian, E, Nivens, M.C, Minor, W, Berger, S, Spencer, H.T, Dunlap, R.B, Lebioda, L.
登録日2000-04-19
公開日2000-05-03
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Catalytic cysteine of thymidylate synthase is activated upon substrate binding.
Biochemistry, 39, 2000
1AJM
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CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT
分子名称: THYMIDYLATE SYNTHASE
著者Strop, P, Montfort, W.R.
登録日1997-05-06
公開日1997-11-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of a marginally active thymidylate synthase mutant, Arg 126-->Glu.
Protein Sci., 6, 1997

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