6EXO
Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor
Summary for 6EXO
Entry DOI | 10.2210/pdb6exo/pdb |
Descriptor | Cysteine protease, 1,2-ETHANEDIOL, (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, ... (4 entities in total) |
Functional Keywords | cysteine protease, papain-like protease, cathepsin l-like protease, endopeptidase, hydrolase |
Biological source | Trypanosoma brucei rhodesiense |
Total number of polymer chains | 2 |
Total formula weight | 48169.74 |
Authors | Dietzel, U.,Kisker, C. (deposition date: 2017-11-08, release date: 2018-04-11, Last modification date: 2024-01-17) |
Primary citation | Giroud, M.,Dietzel, U.,Anselm, L.,Banner, D.,Kuglstatter, A.,Benz, J.,Blanc, J.B.,Gaufreteau, D.,Liu, H.,Lin, X.,Stich, A.,Kuhn, B.,Schuler, F.,Kaiser, M.,Brun, R.,Schirmeister, T.,Kisker, C.,Diederich, F.,Haap, W. Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61:3350-3369, 2018 Cited by PubMed: 29590750DOI: 10.1021/acs.jmedchem.7b01869 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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