4OC6

Structure of Cathepsin D with inhibitor 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide

Summary for 4OC6

Entry DOI	10.2210/pdb4oc6/pdb
Related	1LYA 4OBZ 4OD9
Descriptor	Cathepsin D light chain, Cathepsin D heavy chain, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (7 entities in total)
Functional Keywords	lysosomal aspartic protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (human) More
Total number of polymer chains	2
Total formula weight	39765.72
Authors	Graedler, U.,Czodrowski, P.,Tsaklakidis, C.,Klein, M.,Maskos, K.,Leuthner, B. (deposition date: 2014-01-08, release date: 2014-08-13, Last modification date: 2020-07-29)
Primary citation	Gradler, U.,Czodrowski, P.,Tsaklakidis, C.,Klein, M.,Werkmann, D.,Lindemann, S.,Maskos, K.,Leuthner, B. Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg.Med.Chem.Lett., 24:4141-4150, 2014 Cited by PubMed: 25086681 DOI: 10.1016/j.bmcl.2014.07.054 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.64 Å)

Structure validation