3SR5

S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines

Summary for 3SR5

Entry DOI	10.2210/pdb3sr5/pdb
Related	3SQY 3SRQ 3SRR 3SRS 3SRU 3SRW
Descriptor	Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 7-(3,4-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine, ... (4 entities in total)
Functional Keywords	dihydrofolate reductase, dhfr, drug design, enzyme inhibitors, folate, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Staphylococcus aureus
Total number of polymer chains	1
Total formula weight	20269.65
Authors	Hilgers, M. (deposition date: 2011-07-06, release date: 2011-08-31, Last modification date: 2024-02-28)
Primary citation	Li, X.,Hilgers, M.,Cunningham, M.,Chen, Z.,Trzoss, M.,Zhang, J.,Kohnen, L.,Lam, T.,Creighton, C.,G C, K.,Nelson, K.,Kwan, B.,Stidham, M.,Brown-Driver, V.,Shaw, K.J.,Finn, J. Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21:5171-5176, 2011 Cited by PubMed: 21831637 DOI: 10.1016/j.bmcl.2011.07.059 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.68 Å)

Structure validation