4PIE

Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor

Summary for 4PIE

Entry DOI	10.2210/pdb4pie/pdb
Related	4PIQ 4PIS
Descriptor	Protease, Pre-protein VI, N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide, ... (7 entities in total)
Functional Keywords	adenain, adenovirus, cofactor, pvic, cysteine protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human adenovirus 2 (HAdV-2) More
Cellular location	Virion : P03252 Pre-protein VI: Host nucleus . Endosome lysis protein: Virion : P03274
Total number of polymer chains	2
Total formula weight	25292.56
Authors	Mac Sweeney, A.,Grosche, P.,Ellis, D.,Combrink, C.,Erbel, C.,Hughes, N.,Sirockin, F.,Melkko, S.,Bernardi, A.,Ramage, P.,Jarousse, N.,Altmann, E. (deposition date: 2014-05-08, release date: 2014-09-10, Last modification date: 2023-09-27)
Primary citation	Mac Sweeney, A.,Grosche, P.,Ellis, D.,Combrink, K.,Erbel, P.,Hughes, N.,Sirockin, F.,Melkko, S.,Bernardi, A.,Ramage, P.,Jarousse, N.,Altmann, E. Discovery and structure-based optimization of adenain inhibitors. Acs Med.Chem.Lett., 5:937-941, 2014 Cited by PubMed: 25147618 DOI: 10.1021/ml500224t PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.94 Å)

Structure validation