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-Structure paper
Title | 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. |
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Journal, issue, pages | J. Mol. Graph. Model., Vol. 77, Page 33-50, Year 2017 |
Publish date | Jan 11, 2013 (structure data deposition date) |
![]() | Jarmula, A. / Wilk, P. / Maj, P. / Ludwiczak, J. / Dowiercial, A. / Banaszak, K. / Rypniewski, W. / Ciesla, J. / Dabrowska, M. / Fraczyk, T. ...Jarmula, A. / Wilk, P. / Maj, P. / Ludwiczak, J. / Dowiercial, A. / Banaszak, K. / Rypniewski, W. / Ciesla, J. / Dabrowska, M. / Fraczyk, T. / Bronowska, A.K. / Jakowiecki, J. / Filipek, S. / Rode, W. |
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Methods | X-ray diffraction |
Resolution | 1.13 - 2.9 Å |
Structure data | ![]() PDB-4iqb: ![]() PDB-5by6: ![]() PDB-5noo: |
Chemicals | ![]() ChemComp-SO4: ![]() ChemComp-HOH: ![]() ChemComp-UMP: ![]() ChemComp-DTT: ![]() ChemComp-GOL: ![]() ChemComp-D16: |
Source |
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![]() | TRANSFERASE / PROTEIN DIMER / DEOXYNUCLEOTIDE BIOSYNTHESIS / Trichinella spiralis / parasitic nematode / protein-ligand complex / methyltransferase / enzyme / nematode / complex |