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: 37283561 DOI: 10.1021/acs.jmedchem.3c00433 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.22 Å)

Structure validation