5MQY
CATHEPSIN L IN COMPLEX WITH 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile
Summary for 5MQY
Entry DOI | 10.2210/pdb5mqy/pdb |
Descriptor | Cathepsin L1, 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile, 1,2-ETHANEDIOL, ... (4 entities in total) |
Functional Keywords | protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase |
Biological source | Homo sapiens (Human) |
Cellular location | Lysosome: P07711 |
Total number of polymer chains | 1 |
Total formula weight | 25082.64 |
Authors | Kuglstatter, A.,Stihle, M.,Benz, J. (deposition date: 2016-12-21, release date: 2017-03-22, Last modification date: 2024-01-17) |
Primary citation | Kuhn, B.,Tichy, M.,Wang, L.,Robinson, S.,Martin, R.E.,Kuglstatter, A.,Benz, J.,Giroud, M.,Schirmeister, T.,Abel, R.,Diederich, F.,Hert, J. Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors. J. Med. Chem., 60:2485-2497, 2017 Cited by PubMed: 28287264DOI: 10.1021/acs.jmedchem.6b01881 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.13 Å) |
Structure validation
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