6PFE

Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid.

Summary for 6PFE

Entry DOI	10.2210/pdb6pfe/pdb
Descriptor	Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, ... (6 entities in total)
Functional Keywords	inhibitor, ts, ts-dhfr, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Cryptosporidium hominis
Total number of polymer chains	5
Total formula weight	311109.84
Authors	Czyzyk, D.J.,Valhondo, M.,Jorgensen, W.L.,Anderson, K.S. (deposition date: 2019-06-21, release date: 2019-10-02, Last modification date: 2023-10-11)
Primary citation	Czyzyk, D.J.,Valhondo, M.,Deiana, L.,Tirado-Rives, J.,Jorgensen, W.L.,Anderson, K.S. Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183:111673-111673, 2019 Cited by PubMed: 31536894 DOI: 10.1016/j.ejmech.2019.111673 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.812 Å)

Structure validation