9FMM
Structure of human ACE2 in complex with a fluorinated small molecule inhibitor
This is a non-PDB format compatible entry.
Summary for 9FMM
| Entry DOI | 10.2210/pdb9fmm/pdb |
| Descriptor | Angiotensin-converting enzyme 2, (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (8 entities in total) |
| Functional Keywords | enzyme, peptidase, sars-cov-2 receptor, renin-angiotensin-aldosterone system, peptide binding protein |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 2 |
| Total formula weight | 172309.62 |
| Authors | Benoit, R.B.,Rodrigues, M.J.,Wieser, M.M. (deposition date: 2024-06-06, release date: 2024-07-17, Last modification date: 2024-12-04) |
| Primary citation | Wang, J.,Beyer, D.,Vaccarin, C.,He, Y.,Tanriver, M.,Benoit, R.,Deupi, X.,Mu, L.,Bode, J.W.,Schibli, R.,Muller, C. Development of radiofluorinated MLN-4760 derivatives for PET imaging of the SARS-CoV-2 entry receptor ACE2. Eur J Nucl Med Mol Imaging, 52:9-21, 2024 Cited by PubMed Abstract: The angiotensin converting enzyme 2 (ACE2) plays a regulatory role in the cardiovascular system and serves SARS-CoV-2 as an entry receptor. The aim of this study was to synthesize and evaluate radiofluorinated derivatives of the ACE2 inhibitor MLN-4760. [F]F-MLN-4760 and [F]F-Aza-MLN-4760 were demonstrated to be suitable for non-invasive imaging of ACE2, potentially enabling a better understanding of its expression dynamics. PubMed: 39066808DOI: 10.1007/s00259-024-06831-6 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.5 Å) |
Structure validation
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