4H95

Candida albicans dihydrofolate reductase complexed with NADPH and 6-ethyl-5-{3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine (UCP1006)

Summary for 4H95

Entry DOI	10.2210/pdb4h95/pdb
Related	3QLR 3QLS 3QLW 4H96 4H97 4H98
Descriptor	Dihydrofolate Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ... (4 entities in total)
Functional Keywords	antifungal agents, candida albicans, drug design, enzyme inhibitors, fungal proteins, tetrahydrofolate dehydrogenase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Candida albicans (Yeast)
Total number of polymer chains	2
Total formula weight	45879.73
Authors	Paulsen, J.L.,Anderson, A.C. (deposition date: 2012-09-24, release date: 2013-03-27, Last modification date: 2023-09-20)
Primary citation	Paulsen, J.L.,Viswanathan, K.,Wright, D.L.,Anderson, A.C. Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. Bioorg.Med.Chem.Lett., 23:1279-1284, 2013 Cited by PubMed: 23375226 DOI: 10.1016/j.bmcl.2013.01.008 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.6 Å)

Structure validation