4RAQ

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 4RAQ

Entry DOI	10.2210/pdb4raq/pdb
Related	4RAB 4RAC 4RAD 4RAN 4RAO
Descriptor	Hypoxanthine-guanine phosphoribosyltransferase, [(2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)amino}ethoxy)methyl]phosphonic acid, MAGNESIUM ION, ... (4 entities in total)
Functional Keywords	hypoxanthine-guanine phosphoribosyltransferase, acyclic nucleoside monophosphonates, malaria, 6-oxopurine phosphoribosyltransferase, 9-[(n-phosphonoethyl-n-phosphonomethoxyethyl)-2-aminoethyl]hypoxanthine, cytoplasmic, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P00492
Total number of polymer chains	4
Total formula weight	99820.39
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 Cited by PubMed: 25494538 DOI: 10.1021/jm501416t PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.53 Å)

Structure validation