6QBG

Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 14

Summary for 6QBG

Entry DOI	10.2210/pdb6qbg/pdb
Descriptor	Cathepsin D, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, ... (8 entities in total)
Functional Keywords	aspartic protease, peptidomimetic inhibitor, hydrolase
Biological source	Homo sapiens (Human) More
Total number of polymer chains	2
Total formula weight	39119.77
Authors	Brynda, J.,Houstecka, R.,Majer, P.,Mares, M. (deposition date: 2018-12-21, release date: 2020-01-29, Last modification date: 2024-01-24)
Primary citation	Houstecka, R.,Hadzima, M.,Fanfrlik, J.,Brynda, J.,Pallova, L.,Hanova, I.,Mertlikova-Kaiserova, H.,Lepsik, M.,Horn, M.,Smrcina, M.,Majer, P.,Mares, M. Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J.Med.Chem., 63:1576-1596, 2020 Cited by PubMed: 32003991 DOI: 10.1021/acs.jmedchem.9b01351 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation