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TitleDiscovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Journal, issue, pagesAcs Chem. Biol., Vol. 19, Page 141-152, Year 2024
Publish dateAug 3, 2023 (structure data deposition date)
AuthorsBedding, M.J. / Franck, C. / Johansen-Leete, J. / Aggarwal, A. / Maxwell, J.W.C. / Patel, K. / Hawkins, P.M.E. / Low, J.K.K. / Siddiquee, R. / Sani, H.M. ...Bedding, M.J. / Franck, C. / Johansen-Leete, J. / Aggarwal, A. / Maxwell, J.W.C. / Patel, K. / Hawkins, P.M.E. / Low, J.K.K. / Siddiquee, R. / Sani, H.M. / Ford, D.J. / Turville, S. / Mackay, J.P. / Passioura, T. / Christie, M. / Payne, R.J.
External linksAcs Chem. Biol. / PubMed:38085789
MethodsX-ray diffraction
Resolution2.2 - 3.1 Å
Structure data

PDB-8toq:
ACE2-peptide 1 complex
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-8tor:
ACE2-peptide 2 complex
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-8tos:
ACE2-peptide 6 complex
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-8tot:
ACE2-peptide2 complex crystal form 2
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-8tou:
ACE2-peptide 2 complex crystal form 3
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-ZN:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsPROTEIN BINDING / Peptidase / enzyme / complex / SARS-CoV-2 / angiotensin / receptor / SARS-CoV2

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