4RAD

Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents

Summary for 4RAD

• Entry DOI: 10.2210/pdb4rad/pdb
• Related: 4RAB 4RAC 4RAN 4RAO 4RAQ
• Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, (2-{[2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid, MAGNESIUM ION, ... (4 entities in total)
• Functional Keywords: hypoxanthine-guanine phosphoribosyltransferase, acyclic nucleoside monophosphonates, malaria, 6-oxopurine phosphoribosyltransferase, 9-[(n-phosphonoethyl-n-phosphonoethoxyethyl)-2-aminoethyl]guanine, cytoplasmic, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P00492
• Total number of polymer chains: 8
• Total formula weight: 199702.98

Authors

Keough, D.T.,Hockova, D.,Janeba, Z.,Wang, T.-H.,Naesens, L.,Edstein, M.D.,Chavchich, M.,Guddat, L.W. (deposition date: 2014-09-10, release date: 2015-01-07, Last modification date: 2024-02-28)

• Primary citation: Keough, D.T.,Hockova, D.,Janeba, Z.,Wang, T.H.,Naesens, L.,Edstein, M.D.,Chavchich, M.,Guddat, L.W.; Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents.; J.Med.Chem., 58:827-846, 2015; PubMed: 25494538; DOI: 10.1021/jm501416t

Experimental method

X-RAY DIFFRACTION (2 Å)