6NNR
 
 | |
4GEV
 | | 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
|
|
3BHL
 | |
7JXF
 | | E. coli TSase complex with a bi-substrate reaction intermediate diastereomer analog | | 分子名称: | (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid, ... | | 著者 | Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A, Moliner, V, Swiderek, K. | | 登録日 | 2020-08-27 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
|
|
1QQQ
 | | CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE | | 分子名称: | SULFATE ION, THYMIDYLATE SYNTHASE | | 著者 | Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T. | | 登録日 | 1999-06-07 | | 公開日 | 1999-06-14 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254.
Mol.Pharmacol., 57, 2000
|
|
2FTN
 | |
2A9W
 | | E. coli TS complexed with dUMP and inhibitor GA9 | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-BROMOPHENOL, 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE, ... | | 著者 | Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M. | | 登録日 | 2005-07-12 | | 公開日 | 2005-10-11 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition.
Acta Crystallogr.,Sect.D, 61, 2005
|
|
1EV5
 | | 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
|
|
1EVF
 | | 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
|
|
1AXW
 | |
1F4B
 | | 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
 | | 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
|
|
1KZI
 | | Crystal Structure of EcTS/dUMP/THF Complex | | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (6S)-5,6,7,8-TETRAHYDROFOLATE, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | | 著者 | Fritz, T.A, Liu, L, Finer-Moore, J.S, Stroud, R.M. | | 登録日 | 2002-02-06 | | 公開日 | 2002-07-03 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Tryptophan 80 and leucine 143 are critical for the hydride transfer step of thymidylate synthase by controlling active site access.
Biochemistry, 41, 2002
|
|
4ISK
 | | Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-deoxy-5'-uridylic acid, MAGNESIUM ION, ... | | 著者 | Tochowicz, A, Finer-Moore, J, Stroud, R.M. | | 登録日 | 2013-01-16 | | 公開日 | 2013-12-25 | | 最終更新日 | 2014-02-12 | | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | | 主引用文献 | Development and Binding Mode Assessment of N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-gamma-glutamyl-d-glutamic Acid (BGC 945), a Novel Thymidylate Synthase Inhibitor That Targets Tumor Cells.
J.Med.Chem., 56, 2013
|
|
1TYS
 | |
2FTQ
 | |
7JX1
 | | E. coli TSase complex with a bi-substrate reaction intermediate analog | | 分子名称: | (2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid, PHOSPHATE ION, ... | | 著者 | Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A. | | 登録日 | 2020-08-26 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
|
|
2G8X
 | | Escherichia coli Y209W apoprotein | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CARBONATE ION, PHOSPHATE ION, ... | | 著者 | Lee, T.T, Finer-Moore, J.S, Stroud, R.M. | | 登録日 | 2006-03-03 | | 公開日 | 2006-03-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | The role of protein dynamics in thymidylate synthase catalysis: Variants of conserved dUMP-binding Tyr-261
TO BE PUBLISHED
|
|
1F4E
 | | 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
|
|
3BHR
 | |
1TRG
 | | E. COLI THYMIDYLATE SYNTHASE IN SYMMETRIC COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | 著者 | Stout, T.J, Sage, C.R, Stroud, R.M. | | 登録日 | 1998-05-21 | | 公開日 | 1998-08-12 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
|
|
3BGX
 | | E. coli Thymidylate Synthase C146S mutant complexed with dTMP and MTF | | 分子名称: | N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid, SULFATE ION, THYMIDINE-5'-PHOSPHATE, ... | | 著者 | Roberts, S.A, Montfort, W.R. | | 登録日 | 2007-11-27 | | 公開日 | 2008-12-09 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structural Studies of Early Events in Catalysis by Thymidylate Synthase
To be Published
|
|
1TSD
 | |
2TSC
 | | STRUCTURE, MULTIPLE SITE BINDING, AND SEGMENTAL ACCOMODATION IN THYMIDYLATE SYNTHASE ON BINDING D/UMP AND AN ANTI-FOLATE | | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | 著者 | Montfort, W.R, Stroud, R.M. | | 登録日 | 1991-07-03 | | 公開日 | 1991-10-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structure, multiple site binding, and segmental accommodation in thymidylate synthase on binding dUMP and an anti-folate.
Biochemistry, 29, 1990
|
|
1EVG
 | | 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
|
|
