4ISK
Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor
Summary for 4ISK
Entry DOI | 10.2210/pdb4isk/pdb |
Related | 1AN5 1AXW 1HVY 2KCE |
Descriptor | Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, MAGNESIUM ION, ... (6 entities in total) |
Functional Keywords | alpha/beta protein, methylase, methyltransferase, dump subtrate, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Escherichia coli |
Cellular location | Cytoplasm: P0A884 |
Total number of polymer chains | 8 |
Total formula weight | 252304.06 |
Authors | Tochowicz, A.,Finer-Moore, J.,Stroud, R.M. (deposition date: 2013-01-16, release date: 2013-12-25, Last modification date: 2014-02-12) |
Primary citation | Tochowicz, A.,Dalziel, S.,Eidam, O.,O'Connell, J.D.,Griner, S.,Finer-Moore, J.S.,Stroud, R.M. 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., 56:5446-5455, 2013 Cited by PubMed: 23710599DOI: 10.1021/jm400490e PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.752 Å) |
Structure validation
Download full validation report