3K45
Alternate Binding Modes Observed for the E- and Z-isomers of 2,4-Diaminofuro[2,3d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase
Summary for 3K45
Entry DOI | 10.2210/pdb3k45/pdb |
Related | 3K47 |
Descriptor | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, ... (4 entities in total) |
Functional Keywords | protein ligand cofactor ternary complex, nadp, one-carbon metabolism, oxidoreductase |
Biological source | Mus musculus (mouse) |
Cellular location | Mitochondrion : P00375 |
Total number of polymer chains | 1 |
Total formula weight | 22531.56 |
Authors | Cody, V. (deposition date: 2009-10-05, release date: 2009-10-13, Last modification date: 2023-09-06) |
Primary citation | Gangjee, A.,Li, W.,Lin, L.,Zeng, Y.,Ihnat, M.,Warnke, L.A.,Green, D.W.,Cody, V.,Pace, J.,Queener, S.F. Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors. Bioorg.Med.Chem., 17:7324-7336, 2009 Cited by PubMed: 19748785DOI: 10.1016/j.bmc.2009.08.044 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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