8C25

purine nucleoside phosphorylase in complex with JS-375

Summary for 8C25

Entry DOI	10.2210/pdb8c25/pdb
Related	7ZSQ 7ZSR
Descriptor	Purine nucleoside phosphorylase, [(~{E})-2-[4-methoxy-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid, GLYCEROL, ... (6 entities in total)
Functional Keywords	pnp-inhibitor complex, transferase
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	2
Total formula weight	56625.07
Authors	Djukic, S.,Pachl, P.,Rezacova, P. (deposition date: 2022-12-21, release date: 2023-05-31, Last modification date: 2023-10-11)
Primary citation	Skacel, J.,Djukic, S.,Baszczynski, O.,Kalcic, F.,Bilek, T.,Chalupsky, K.,Kozak, J.,Dvorakova, A.,Tloust'ova, E.,Kral'ova, Z.,Smidkova, M.,Voldrich, J.,Rumlova, M.,Pachl, P.,Brynda, J.,Vuckova, T.,Fabry, M.,Snasel, J.,Pichova, I.,Rezacova, P.,Mertlikova-Kaiserova, H.,Janeba, Z. Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66:6652-6681, 2023 Cited by PubMed: 37134237 DOI: 10.1021/acs.jmedchem.2c02097 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.56 Å)

Structure validation