6N1S
 
 | | Toxoplasma gondii TS-DHFR in complex with selective inhibitor 29 | | 分子名称: | 1,2-ETHANEDIOL, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | | 著者 | Hopper, A.T, Brockman, A, Wise, A, Gould, J, Barks, J, Radke, J.B, Sibley, L.D, Zou, Y, Thomas, S.B. | | 登録日 | 2018-11-11 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery of Selective Toxoplasma gondii Dihydrofolate Reductase Inhibitors for the Treatment of Toxoplasmosis.
J. Med. Chem., 62, 2019
|
|
6A9B
 | |
6A9A
 | | Ternary complex crystal structure of dCH with dCMP and THF | | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Deoxycytidylate 5-hydroxymethyltransferase, ... | | 著者 | Park, S.H, Song, H.K. | | 登録日 | 2018-07-12 | | 公開日 | 2019-01-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A cytosine modification mechanism revealed by the structure of a ternary complex of deoxycytidylate hydroxymethylase from bacteriophage T4 with its cofactor and substrate.
Iucrj, 6, 2019
|
|
6AOG
 | | Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine (pyrimethamine) | | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, ... | | 著者 | Thomas, S.B, Li, Y, Chen, Z, Lu, H. | | 登録日 | 2017-08-16 | | 公開日 | 2018-08-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis
To Be Published
|
|
6AOI
 | | Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine (TRC-2528) | | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine, ... | | 著者 | Thomas, S.B, Li, Y, Chen, Z, Lu, H. | | 登録日 | 2017-08-16 | | 公開日 | 2018-08-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | | 主引用文献 | Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis
To Be Published
|
|
6AOH
 | | Crystal structure of Toxoplasma gondii TS-DHFR complexed with NADPH, dUMP, PDDF, and 5-(4-(3-(2-methoxypyrimidin-5-yl)phenyl)piperazin-1-yl)pyrimidine-2,4-diamine (TRC-2533) | | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine, ... | | 著者 | Thomas, S.B, Li, Y, Chen, Z, Lu, H. | | 登録日 | 2017-08-16 | | 公開日 | 2018-08-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Identification of selective, brain penetrant Toxoplasma gondii dihydrofolate reductase inhibitors for the treatment of toxoplasmosis
To Be Published
|
|
6CDZ
 | | E. coli thymidylate synthase mutant I264Am | | 分子名称: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2'-deoxy-5'-uridylic acid, ... | | 著者 | Finer-moore, J.S, Lee, T.T, Stroud, R.M. | | 登録日 | 2018-02-09 | | 公開日 | 2018-05-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A Single Mutation Traps a Half-Sites Reactive Enzyme in Midstream, Explaining Asymmetry in Hydride Transfer.
Biochemistry, 57, 2018
|
|
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 | | 分子名称: | 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 | | 著者 | Wilk, P, Maj, P, Jarmula, A, Dowiercial, A, Rode, W. | | 登録日 | 2016-10-19 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.179 Å) | | 主引用文献 | Molecular Mechanism of Thymidylate Synthase Inhibition by N 4 -Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies.
Int J Mol Sci, 22, 2021
|
|
6AUJ
 | |
5T7O
 | | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | | 著者 | Di Pisa, F, Dello Iacono, L, Bonucci, A, Mangani, S. | | 登録日 | 2016-09-05 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
To Be Published
|
|
5X5A
 | | Human thymidylate synthase bound with phosphate ion | | 分子名称: | PHOSPHATE ION, Thymidylate synthase | | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | 登録日 | 2017-02-15 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
|
|
5X66
 | | Human thymidylate synthase in complex with dUMP and methotrexate | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate synthase | | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | 登録日 | 2017-02-21 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
|
|
5X4Y
 | | Mutant human thymidylate synthase M190K crystallized in a sulfate-containing condition | | 分子名称: | SULFATE ION, Thymidylate synthase | | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | 登録日 | 2017-02-14 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
|
|
5X5Q
 | | Human thymidylate synthase complexed with dUMP and raltitrexed | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | 登録日 | 2017-02-17 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
|
|
5X67
 | | Human thymidylate synthase in complex with dUMP and nolatrexed | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-azanyl-6-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one, Thymidylate synthase | | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | 登録日 | 2017-02-21 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states.
J. Biol. Chem., 292, 2017
|
|
5X4X
 | | Mutant human thymidylate synthase A191K crystallized in a sulfate-containing condition | | 分子名称: | SULFATE ION, Thymidylate synthase | | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | 登録日 | 2017-02-14 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
|
|
5X69
 | | Human thymidylate synthase with a fragment bound in the dimer interface | | 分子名称: | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | 登録日 | 2017-02-21 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
|
|
5X4W
 | | Mutant human thymidylate synthase A191K crystallized in a sulfate-free condition | | 分子名称: | PHOSPHATE ION, Thymidylate synthase | | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | 登録日 | 2017-02-14 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
|
|
5X5D
 | | Human thymidylate synthase bound with dUMP | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | 登録日 | 2017-02-15 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
|
|
5NOO
 | | Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | | 著者 | Wilk, P, Jarmula, A, Maj, P, Dowiercial, A, Banaszak, K, Rypniewski, W, Rode, W. | | 登録日 | 2017-04-12 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | 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
|
|
5JP9
 | |
5JNH
 | |
5B6D
 | |
5B6E
 | |
5H38
 | | Structural analysis of KSHV thymidylate synthase | | 分子名称: | ORF70, PHOSPHATE ION | | 著者 | Choi, Y.M, Yeo, H.K, Park, Y.W, Lee, J.Y. | | 登録日 | 2016-10-21 | | 公開日 | 2017-01-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Analysis of Thymidylate Synthase from Kaposi's Sarcoma-Associated Herpesvirus with the Anticancer Drug Raltitrexed.
PLoS ONE, 11, 2016
|
|
