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: 37974946DOI: 10.1021/acsmedchemlett.3c00359 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.9 Å) |
Structure validation
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