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Table 1 Structural features of the targets used in WISDOM II

From: WISDOM-II: Screening against multiple targets implicated in malaria using computational grid infrastructures

Target Activity Structure PDB id Resolution Å Cocrystallized Ligand Co-factor
Pf GST Detoxification Dimer 1Q4J 2.2 GTX NO
Pf DHFR (wild type) DNA synthesis Polymer 1J3I 2.33 WR99210 NADPH
Pf DHFR (Quadruple mutant) DNA synthesis Polymer 1J3K 2.10 WR99210 NADPH
(wild type)
DNA synthesis Polymer 2BL9 1.90 Pyrimethamine NADPH
P vDHFR (Double mutant) DNA synthesis Polymer 2BLC 2.25 Des- chloropyrimethamine NADPH