6SPT
High resolution crystal structure of N-terminal domain of PEX14 from Trypanosoma brucei in complex with the fist compound with sub-micromolar trypanocidal activity
Summary for 6SPT
Entry DOI | 10.2210/pdb6spt/pdb |
Descriptor | Peroxin 14, 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, BETA-MERCAPTOETHANOL, ... (5 entities in total) |
Functional Keywords | pex5-pex14 protein protein inhibitor, hat, peroxisome, trypanosoma, signaling protein |
Biological source | Trypanosoma brucei brucei |
Total number of polymer chains | 1 |
Total formula weight | 8851.03 |
Authors | Napolitano, V.,Dawidowski, M.,Kalel, V.C.,Fino, R.,Emmanouilidis, L.,Lenhart, D.,Ostertag, M.,Kaiser, M.,Kolonko, M.,Schilebs, W.,Maser, P.,Tetko, I.,Hadian, K.,Plettenburg, O.,Erdmann, R.,Sattler, M.,Popowicz, G.M.,Dubin, G. (deposition date: 2019-09-02, release date: 2020-01-01, Last modification date: 2020-02-05) |
Primary citation | Dawidowski, M.,Kalel, V.C.,Napolitano, V.,Fino, R.,Schorpp, K.,Emmanouilidis, L.,Lenhart, D.,Ostertag, M.,Kaiser, M.,Kolonko, M.,Tippler, B.,Schliebs, W.,Dubin, G.,Maser, P.,Tetko, I.V.,Hadian, K.,Plettenburg, O.,Erdmann, R.,Sattler, M.,Popowicz, G.M. Structure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal Activity. J.Med.Chem., 63:847-879, 2020 Cited by PubMed: 31860309DOI: 10.1021/acs.jmedchem.9b01876 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.2 Å) |
Structure validation
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