8CR0
Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor
Summary for 8CR0
Entry DOI | 10.2210/pdb8cr0/pdb |
Descriptor | Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ... (5 entities in total) |
Functional Keywords | benzoxaborole, boron, zinc enzyme, complex, lyase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 29774.71 |
Authors | Alterio, V.,De Simone, G.,Esposito, D. (deposition date: 2023-03-07, release date: 2023-06-21, Last modification date: 2024-02-07) |
Primary citation | Nocentini, A.,Bonardi, A.,Bazzicalupi, C.,Alterio, V.,Esposito, D.,Monti, S.M.,Smietana, M.,De Simone, G.,Supuran, C.T.,Gratteri, P.,Winum, J.Y. 6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography. J.Med.Chem., 66:8118-8129, 2023 Cited by PubMed: 37283561DOI: 10.1021/acs.jmedchem.3c00433 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.22 Å) |
Structure validation
Download full validation report