2TSR
 
 | | THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX | | Authors: | Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R. | | Deposit date: | 1998-06-19 | | Release date: | 1999-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
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6GKO
 | | Mouse thymidylate synthase cocrystallized with dUMP and soaked in phenolphthalein | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, ... | | Authors: | Maj, P, Wilk, P, Jarmula, A, Weiss, M.S, Rode, W. | | Deposit date: | 2018-05-21 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.839 Å) | | Cite: | Thymidylate synthase fragment screening
To Be Published
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5BY6
 | | Crystal structure of Trichinella spiralis thymidylate synthase complexed with dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Fraczyk, T, Wilk, P, Rode, W. | | Deposit date: | 2015-06-10 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
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5FCT
 | | Mouse thymidylate synthase in ternary complex with FdUMP and methylenetetrahydrofolate. | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase | | Authors: | Dowiercial, A, Wilk, P, Jarmula, A, Rode, W. | | Deposit date: | 2015-12-15 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
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3IHI
 | | 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
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6F6Z
 | | Mouse Thymidylate Synthase Cocrystallized with N(4)OHdCMP and Soaked in Methylenetetrahydrofolate | | Descriptor: | (2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid, 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase | | Authors: | Wilk, P, Jarmula, A, Maj, P, Rode, W. | | Deposit date: | 2017-12-06 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.127 Å) | | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N4-Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies
Int J Mol Sci, 22, 2021
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5NOO
 | | Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | | Authors: | Wilk, P, Jarmula, A, Maj, P, Dowiercial, A, Banaszak, K, Rypniewski, W, Rode, W. | | Deposit date: | 2017-04-12 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
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6Y08
 | | Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Sulfamethoxazole, Thymidylate synthase | | Authors: | Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. | | Deposit date: | 2020-02-06 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole
To Be Published
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5M4Z
 | | Crystal structure of the complex of T.spiralis thymidylate synthase with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate, crystallized in the presence of N(5,10)-methylenetetrahydrofolate | | Descriptor: | GLYCEROL, Thymidylate synthase, [(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Authors: | Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W. | | Deposit date: | 2016-10-19 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.179 Å) | | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N 4 -Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies.
Int J Mol Sci, 22, 2021
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6GYJ
 | | Mouse thymidylate synthase crystal soaked in phenolphthalein | | Descriptor: | 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. | | Deposit date: | 2018-06-30 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thymidylate synthase fragment screening
To be published
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1RTS
 | | THYMIDYLATE SYNTHASE FROM RAT IN TERNARY COMPLEX WITH DUMP AND TOMUDEX | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX | | Authors: | Sotelo-Mundo, R.R, Ciesla, J, Dzik, J.M, Rode, W, Maley, F, Maley, G, Hardy, L.W, Montfort, W.R. | | Deposit date: | 1998-06-19 | | Release date: | 1999-02-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structures of rat thymidylate synthase inhibited by Tomudex, a potent anticancer drug.
Biochemistry, 38, 1999
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4E5O
 | | Crystal structure of mouse thymidylate synthase in complex with dUMP | | Descriptor: | 1,4-BUTANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W. | | Deposit date: | 2012-03-14 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
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4IRR
 | | Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Thymidylate synthase | | Authors: | Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. | | Deposit date: | 2013-01-15 | | Release date: | 2014-01-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP
To be Published
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4IQB
 | | High Resolution Crystal Structure of C.elegans Thymidylate Synthase | | Descriptor: | SULFATE ION, Thymidylate synthase | | Authors: | Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. | | Deposit date: | 2013-01-11 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
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4ISW
 | | Crystal Structure of Phosphorylated C.elegans Thymidylate Synthase in Complex with dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. | | Deposit date: | 2013-01-17 | | Release date: | 2013-12-11 | | Last modified: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Crystal structure of phosphoramide-phosphorylated thymidylate synthase reveals pSer127, reflecting probably pHis to pSer phosphotransfer.
Bioorg.Chem., 52C, 2013
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4EB4
 | | Crystal structure of mouse thymidylate synthase in ternary complex with dUMP and Tomudex | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W.R, Wilk, P, Rode, W. | | Deposit date: | 2012-03-23 | | Release date: | 2012-05-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of mouse thymidylate synthase in tertiary complex with dUMP and raltitrexed reveals N-terminus architecture and two different active site conformations.
Biomed Res Int, 2014, 2014
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4PSG
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4EZ8
 | | Crystal structure of mouse thymidylate sythase in ternary complex with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate and the cofactor product, dihydrofolate | | Descriptor: | 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), DIHYDROFOLIC ACID, GLYCEROL, ... | | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Wilk, P, Kierdaszuk, B, Banaszak, K, Gorecka, K, Rode, W. | | Deposit date: | 2012-05-02 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Crystal structures of complexes of mouse thymidylate synthase
crystallized with N4-OH-dCMP alone or in the presence of
N5,10-methylenetetrahydrofolate
Pteridines, 2013
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4EIN
 | | Crystal structure of mouse thymidylate synthase in binary complex with a substrate analogue and strong inhibitor, N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate | | Descriptor: | 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, Thymidylate synthase | | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W.R, Wilk, P, Kierdaszuk, B, Rode, W. | | Deposit date: | 2012-04-05 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of complexes of mouse thymidylate synthase
crystallized with N4-OH-dCMP alone or in the presence of
N5,10-methylenetetrahydrofolate
PTERIDINES, 2013
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7OUI
 | | Structure of C2S2M2-type Photosystem supercomplex from Arabidopsis thaliana (digitonin-extracted) | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Graca, A.T, Hall, M, Persson, K, Schroder, W.P. | | Deposit date: | 2021-06-11 | | Release date: | 2021-08-18 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | High-resolution model of Arabidopsis Photosystem II reveals the structural consequences of digitonin-extraction.
Sci Rep, 11, 2021
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9EVX
 | | cryoEM structure of Photosystem II averaged across S2-S3 states at 1.71 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Hussein, R, Graca, A, Zouni, A, Messinger, J, Schroder, W.P. | | Deposit date: | 2024-04-02 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (1.71 Å) | | Cite: | Cryo-electron microscopy reveals hydrogen positions and water networks in photosystem II.
Science, 384, 2024
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1K5N
 | | HLA-B*2709 BOUND TO NONA-PEPTIDE M9 | | Descriptor: | GLYCEROL, beta-2-microglobulin, light chain, ... | | Authors: | Hulsmeyer, M, Hillig, R.C, Volz, A, Ruhl, M, Schroder, W, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2001-10-11 | | Release date: | 2002-10-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | HLA-B27 Subtypes Differentially Associated with Disease Exhibit Subtle Structural Alterations
J.Biol.Chem., 277, 2002
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1JGE
 | | HLA-B*2705 bound to nona-peptide m9 | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-27 B*2705 ALPHA CHAIN, ... | | Authors: | Hulsmeyer, M, Hillig, R.C, Volz, A, Ruhl, M, Schroder, W, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2001-06-25 | | Release date: | 2002-10-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | HLA-B27 subtypes differentially associated with disease exhibit subtle structural
alterations
J.Biol.Chem., 277, 2002
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3RRW
 | | Crystal structure of the TL29 protein from Arabidopsis thaliana | | Descriptor: | CALCIUM ION, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Lundberg, E, Storm, P, Schroder, W.P, Funk, C. | | Deposit date: | 2011-05-01 | | Release date: | 2011-08-03 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the TL29 protein from Arabidopsis thaliana: An APX homolog without peroxidase activity.
J.Struct.Biol., 176, 2011
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