4WX6

Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor

Summary for 4WX6

Entry DOI	10.2210/pdb4wx6/pdb
Descriptor	Protease, PVI, N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, ... (4 entities in total)
Functional Keywords	cysteine protease, deubiquitinase, inhibitor, hydrolase
Biological source	Human adenovirus D serotype 8 (HAdV-8) More
Total number of polymer chains	4
Total formula weight	49803.01
Authors	Grosche, P.,Sirockin, F.,Mac Sweeney, A.,Ramage, P.,Erbel, P.,Melkko, S.,Bernardi, A.,Hughes, N.,Ellis, D.,Combrink, K.,Jarousse, N.,Altmann, E. (deposition date: 2014-11-13, release date: 2015-01-14, Last modification date: 2015-01-28)
Primary citation	Grosche, P.,Sirockin, F.,Mac Sweeney, A.,Ramage, P.,Erbel, P.,Melkko, S.,Bernardi, A.,Hughes, N.,Ellis, D.,Combrink, K.D.,Jarousse, N.,Altmann, E. Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25:438-443, 2015 Cited by PubMed: 25571794 DOI: 10.1016/j.bmcl.2014.12.057 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.15 Å)

Structure validation