3NTZ
Design, Synthesis, Biological Evaluation and X-ray Crystal Structures of Novel Classical 6,5,6-tricyclicbenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors
Summary for 3NTZ
Entry DOI | 10.2210/pdb3ntz/pdb |
Related | 3GHC 3NU0 |
Descriptor | Dihydrofolate reductase, N-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total) |
Functional Keywords | dihydrofolate reductase, cyclized inhibitors, oxidoreductase hdhfr-263-nadph, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Mitochondrion : P00374 |
Total number of polymer chains | 1 |
Total formula weight | 23070.77 |
Authors | Cody, V. (deposition date: 2010-07-06, release date: 2011-05-25, Last modification date: 2024-04-03) |
Primary citation | Zhang, X.,Zhou, X.,Kisliuk, R.L.,Piraino, J.,Cody, V.,Gangjee, A. Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors. Bioorg.Med.Chem., 19:3585-3594, 2011 Cited by PubMed: 21550809DOI: 10.1016/j.bmc.2011.03.067 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.35 Å) |
Structure validation
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