3H4V

Selective screening and design to identify inhibitors of leishmania major pteridine reductase 1

Replaces:  2P8K

Summary for 3H4V

• Entry DOI: 10.2210/pdb3h4v/pdb
• Related: 1e92 1p33 1w0c 2bf7 2bfa 2bfm 2qhx
• Descriptor: Pteridine reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, ... (4 entities in total)
• Functional Keywords: short-chain reductase, leishmania, trypanosoma, ptr1, inhibitor, oxidoreductase, methotrexate resistance, nadp
• Biological source: Leishmania major
• Total number of polymer chains: 8
• Total formula weight: 252963.62

Authors

Mcluskey, K.,Gibellini, F.,Hunter, W.N. (deposition date: 2009-04-21, release date: 2009-05-05, Last modification date: 2023-11-01)

• Primary citation: Cavazzuti, A.,Paglietti, G.,Hunter, W.N.,Gamarro, F.,Piras, S.,Loriga, M.,Allecca, S.,Corona, P.,McLuskey, K.,Tulloch, L.,Gibellini, F.,Ferrari, S.,Costi, M.P.; Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development; Proc.Natl.Acad.Sci.USA, 105:1448-1453, 2008; PubMed: 18245389; DOI: 10.1073/pnas.0704384105

Experimental method

X-RAY DIFFRACTION (2.4 Å)