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 Cited by PubMed: 25309911DOI: 10.1155/2014/389869 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1 Å) |
Structure validation
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