2YOG

Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- alpha-deoxythymidine inhibitor

Summary for 2YOG

• Entry DOI: 10.2210/pdb2yog/pdb
• Related: 2WWF 2WWG 2WWH 2WWI 2YOF 2YOH
• Descriptor: THYMIDYLATE KINASE, 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl]thiourea (3 entities in total)
• Functional Keywords: transferase, malaria, inhibitor
• Biological source: PLASMODIUM FALCIPARUM
• Total number of polymer chains: 2
• Total formula weight: 50407.95

Authors

Huaqing, C.,Carrero-Lerida, J.,Silva, A.P.G.,Whittingham, J.L.,Brannigan, J.A.,Ruiz-Perez, L.M.,Read, K.D.,Wilson, K.S.,Gonzalez-Pacanowska, D.,Gilbert, I.H. (deposition date: 2012-10-24, release date: 2013-07-24)

• Primary citation: Cui, H.,Carrero-Lerida, J.,Silva, A.P.G.,Whittingham, J.L.,Brannigan, J.A.,Ruiz-Perez, L.M.,Read, K.D.,Wilson, K.S.,Gonzalez-Pacanowska, D.,Gilbert, I.H.; Synthesis and Evaluation of Alpha-Thymidine Analogues as Novel Antimalarials.; J.Med.Chem., 55:10948-, 2012; PubMed: 23240776; DOI: 10.1021/JM301328H

Experimental method

X-RAY DIFFRACTION (1.5 Å)