6PRB

S. aureus dihydrofolate reductase co-crystallized with cyclopropyl-dimethyoxydihydropthalazine inhibitor and NADP(H)

Summary for 6PRB

Entry DOI	10.2210/pdb6prb/pdb
Descriptor	Dihydrofolate reductase, (2E)-1-[(1S)-1-cyclopropyl-6,7-dimethoxy-3,4-dihydrophthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, (2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one, ... (6 entities in total)
Functional Keywords	dihydrofolate reductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
Biological source	Staphylococcus aureus
Total number of polymer chains	1
Total formula weight	20536.04
Authors	Bourne, C.R.,Thomas, L.M. (deposition date: 2019-07-10, release date: 2020-06-17, Last modification date: 2023-10-11)
Primary citation	Muddala, N.P.,White, J.C.,Nammalwar, B.,Pratt, I.,Thomas, L.M.,Bunce, R.A.,Berlin, K.D.,Bourne, C.R. Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase. Eur.J.Med.Chem., 200:112412-112412, 2020 Cited by PubMed: 32502861 DOI: 10.1016/j.ejmech.2020.112412 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation