4Q78

Structure-assisted design of carborane-based inhibitors of carbonic anhydrase

Summary for 4Q78

• Entry DOI: 10.2210/pdb4q78/pdb
• Related: 4MDG
• Descriptor: Carbonic anhydrase 2, ZINC ION, 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane, ... (5 entities in total)
• Functional Keywords: carbonic anhydrase, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm : P00918
• Total number of polymer chains: 1
• Total formula weight: 30020.86

Authors

Mader, P.,Brynda, J.,Rezacova, P. (deposition date: 2014-04-24, release date: 2015-03-18, Last modification date: 2024-02-28)

• Primary citation: Mader, P.,Pecina, A.,Cigler, P.,Lepsik, M.,Sicha, V.,Hobza, P.,Gruner, B.,Fanfrlik, J.,Brynda, J.,Rezacova, P.; Carborane-based carbonic anhydrase inhibitors: insight into CAII/CAIX specificity from a high-resolution crystal structure, modeling, and quantum chemical calculations.; Biomed Res Int, 2014:389869-389869, 2014; PubMed: 25309911; DOI: 10.1155/2014/389869

Experimental method

X-RAY DIFFRACTION (1 Å)