8J3T

Complex structure of human cytomegalovirus protease and a non-covalent small-molecule ligand

Summary for 8J3T

Entry DOI	10.2210/pdb8j3t/pdb
Descriptor	Assemblin, (4R)-1-[1-[(S)-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-N-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide (3 entities in total)
Functional Keywords	protease, hydrolase
Biological source	Human betaherpesvirus 5
Total number of polymer chains	2
Total formula weight	59637.03
Authors	Yoshida, S.,Sako, Y.,Nikaido, E.,Ueda, T.,Kozono, I.,Ichihashi, Y.,Nakahashi, A.,Onishi, M.,Yamatsu, Y.,Kato, T.,Nishikawa, J.,Tachibana, Y. (deposition date: 2023-04-18, release date: 2023-11-08, Last modification date: 2023-11-29)
Primary citation	Yoshida, S.,Sako, Y.,Nikaido, E.,Ueda, T.,Kozono, I.,Ichihashi, Y.,Nakahashi, A.,Onishi, M.,Yamatsu, Y.,Kato, T.,Nishikawa, J.,Tachibana, Y. Peptide-to-Small Molecule: Discovery of Non-Covalent, Active-Site Inhibitors of beta-Herpesvirus Proteases. Acs Med.Chem.Lett., 14:1558-1566, 2023 Cited by PubMed: 37974946 DOI: 10.1021/acsmedchemlett.3c00359 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation