8FR1
Carbonic Anhydrase IX in complex with the alkyl urea compound 3g
Summary for 8FR1
Entry DOI | 10.2210/pdb8fr1/pdb |
Descriptor | Carbonic anhydrase 2, ZINC ION, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, ... (5 entities in total) |
Functional Keywords | inhibitor, complex, metal binding protein |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 29354.36 |
Authors | Combs, J.C.,McKenna, R. (deposition date: 2023-01-06, release date: 2023-02-01, Last modification date: 2024-05-22) |
Primary citation | Combs, J.,Bozdag, M.,Cravey, L.D.,Kota, A.,McKenna, R.,Angeli, A.,Carta, F.,Supuran, C.T. New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28:-, 2023 Cited by PubMed Abstract: This paper reports an investigation into the impact of pyridyl functional groups in conjunction with hydroxide-substituted benzenesulfonamides on the inhibition of human carbonic anhydrase (CA; EC 4.2.1.1) enzymes. These compounds were tested in vitro of CA II and CA IX, two physiologically important CA isoforms. The most potent inhibitory molecules against CA IX, , , and , were studied to understand their binding modes via X-ray crystallography in adduct with CA II and CA IX-mimic. This research further adds to the field of CA inhibitors to better understand ligand selectivity between isoforms found in humans. PubMed: 36677947DOI: 10.3390/molecules28020890 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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