6ND2
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3R)-3-[2-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1063)
Summary for 6ND2
Entry DOI | 10.2210/pdb6nd2/pdb |
Descriptor | Dihydrofolate reductase, GLYCEROL, 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, ... (5 entities in total) |
Functional Keywords | dhfr, propargyl-linked antifolates, antibiotics, antifolates, oxidoreductase |
Biological source | Staphylococcus aureus |
Total number of polymer chains | 1 |
Total formula weight | 19226.52 |
Authors | Reeve, S.M.,Wright, D.L. (deposition date: 2018-12-13, release date: 2019-09-25, Last modification date: 2023-10-11) |
Primary citation | Lombardo, M.N.,G-Dayanandan, N.,Keshipeddy, S.,Zhou, W.,Si, D.,Reeve, S.M.,Alverson, J.,Barney, P.,Walker, L.,Hoody, J.,Priestley, N.D.,Obach, R.S.,Wright, D.L. Structure-Guided In Vitro to In Vivo Pharmacokinetic Optimization of Propargyl-Linked Antifolates. Drug Metab.Dispos., 47:995-1003, 2019 Cited by PubMed: 31201212DOI: 10.1124/dmd.119.086504 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.243 Å) |
Structure validation
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