8BFW

The structures of Ace2 in complex with bicyclic peptide inhibitor

Summary for 8BFW

Entry DOI	10.2210/pdb8bfw/pdb
Descriptor	Processed angiotensin-converting enzyme 2, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ... (4 entities in total)
Functional Keywords	cov-2-sars bind proteins, membrane protein
Biological source	Homo sapiens (human) More
Total number of polymer chains	4
Total formula weight	145868.86
Authors	Brear, P.,Lulla, A.,Harman, M.,Dods, R.,Chen, L.,Bezerra, G.,Demydchuk, Y.,Stanway, S.,Hyvonen, M. (deposition date: 2022-10-27, release date: 2023-10-04, Last modification date: 2023-10-11)
Primary citation	Harman, M.A.J.,Stanway, S.J.,Scott, H.,Demydchuk, Y.,Bezerra, G.A.,Pellegrino, S.,Chen, L.,Brear, P.,Lulla, A.,Hyvonen, M.,Beswick, P.J.,Skynner, M.J. Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66:9881-9893, 2023 Cited by PubMed: 37433017 DOI: 10.1021/acs.jmedchem.3c00710 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.33 Å)

Structure validation