6QBH

Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 33

Summary for 6QBH

• Entry DOI: 10.2210/pdb6qbh/pdb
• Related: 6QBG
• Descriptor: Cathepsin D, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, (4~{S},5~{S},9~{S})-5-oxidanyl-4-(phenylmethyl)-9-propan-2-yl-1-oxa-3,8,11-triazacyclodocosane-2,7,10-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: 38382.77

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; PubMed: 32003991; DOI: 10.1021/acs.jmedchem.9b01351

Experimental method

X-RAY DIFFRACTION (1.85 Å)