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Title | 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. |
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Journal, issue, pages | J. Med. Chem., Vol. 56, Page 5446-5455, Year 2013 |
Publish date | Jan 16, 2013 (structure data deposition date) |
Authors | Tochowicz, A. / Dalziel, S. / Eidam, O. / O'Connell, J.D. / Griner, S. / Finer-Moore, J.S. / Stroud, R.M. |
External links | J. Med. Chem. / PubMed:23710599 |
Methods | X-ray diffraction |
Resolution | 1.752 Å |
Structure data | PDB-4isk: |
Chemicals | ChemComp-UMP: ChemComp-MG: ChemComp-1JY: ChemComp-UMC: ChemComp-HOH: |
Source |
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Keywords | TRANSFERASE/TRANSFERASE INHIBITOR / alpha/beta protein / methylase / METHYLTRANSFERASE / dUMP subtrate / TRANSFERASE-TRANSFERASE INHIBITOR complex |