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6K7R
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BU of 6k7r by Molmil
Crystal structure of thymidylate synthase from shrimp
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Ma, Q, Zang, K, Liu, C.
Deposit date:2019-06-08
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
6L18
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BU of 6l18 by Molmil
XFEL structure of T4dCH D179N mutant complex with natively expressed dTMP
Descriptor: Deoxycytidylate 5-hydroxymethyltransferase, IODIDE ION, SODIUM ION, ...
Authors:Park, S.H, Song, H.K.
Deposit date:2019-09-27
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A host dTMP-bound structure of T4 phage dCMP hydroxymethylase mutant using an X-ray free electron laser.
Sci Rep, 9, 2019
6K7S
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BU of 6k7s by Molmil
Crystal structure of thymidylate synthase from shrimp
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
Authors:Ma, Q, Zang, K, Liu, C.
Deposit date:2019-06-08
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
6K7Q
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BU of 6k7q by Molmil
Crystal structure of thymidylate synthase from shrimp
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Ma, Q, Zang, K, Liu, C.
Deposit date:2019-06-08
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
1CI7
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BU of 1ci7 by Molmil
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
1DNA
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BU of 1dna by Molmil
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
1DDU
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BU of 1ddu by Molmil
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
1FFL
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BU of 1ffl by Molmil
CRYSTAL STRUCTURE OF THE APO-THYMIDYLATE SYNTHASE R166Q MUTANT
Descriptor: THYMIDYLATE SYNTHASE
Authors:Sotelo-Mundo, R.R, Changchien, L, Maley, F, Montfort, W.R.
Deposit date:2000-07-25
Release date:2000-07-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Crystal structures of thymidylate synthase mutant R166Q: Structural basis for the nearly complete loss of catalytic activity.
J.Biochem.Mol.Toxicol., 20, 2006
1FWM
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BU of 1fwm by Molmil
Crystal structure of the thymidylate synthase R166Q mutant
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Sotelo-Mundo, R.R, Changchien, L, Maley, F, Montfort, W.R.
Deposit date:2000-09-23
Release date:2003-11-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of thymidylate synthase mutant R166Q: Structural basis for the nearly complete loss of catalytic activity.
J.Biochem.Mol.Toxicol., 20, 2006
1EV8
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BU of 1ev8 by Molmil
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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BU of 1evf by Molmil
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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BU of 1ev5 by Molmil
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
1F28
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BU of 1f28 by Molmil
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
1F4B
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BU of 1f4b by Molmil
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
1F4G
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BU of 1f4g by Molmil
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
1F4C
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BU of 1f4c by Molmil
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
1F4E
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BU of 1f4e by Molmil
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
1F4D
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BU of 1f4d by Molmil
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
1F4F
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BU of 1f4f by Molmil
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
3IK1
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BU of 3ik1 by Molmil
Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 20C
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, Thymidylate synthase
Authors:Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P.
Deposit date:2009-08-05
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3IHI
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BU of 3ihi by Molmil
Crystal structure of mouse thymidylate synthase
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W.R, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W.
Deposit date:2009-07-30
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
3IJZ
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BU of 3ijz by Molmil
Lactobacillus casei Thymidylate Synthase ternary complex with dUMP and Pthalimidic derivative 15C
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
Authors:Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P.
Deposit date:2009-08-05
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3IK0
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BU of 3ik0 by Molmil
Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 7C1
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide, Thymidylate synthase
Authors:Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P.
Deposit date:2009-08-05
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3GH0
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BU of 3gh0 by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L.
Deposit date:2009-03-02
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010

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