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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 DOI10.2210/pdb3ntz/pdb
Related3GHC 3NU0
DescriptorDihydrofolate 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 Keywordsdihydrofolate reductase, cyclized inhibitors, oxidoreductase hdhfr-263-nadph, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationMitochondrion : P00374
Total number of polymer chains1
Total formula weight23070.77
Authors
Cody, V. (deposition date: 2010-07-06, release date: 2011-05-25, Last modification date: 2024-02-21)
Primary citationZhang, 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: 21550809
DOI: 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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