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5LWS

Endothiapepsin in complex with fragment 177 and a derivative thereof

Summary for 5LWS
Entry DOI10.2210/pdb5lws/pdb
DescriptorEndothiapepsin, DIMETHYL SULFOXIDE, GLYCEROL, ... (8 entities in total)
Functional Keywordsfragment screening, aspartic protease, inhibition, reactivity, hydrolase
Biological sourceCryphonectria parasitica (Chestnut blight fungus)
Total number of polymer chains1
Total formula weight35297.29
Authors
Schiebel, J.,Heine, A.,Klebe, G. (deposition date: 2016-09-19, release date: 2017-08-09, Last modification date: 2024-01-17)
Primary citationCramer, J.,Schiebel, J.,Wulsdorf, T.,Grohe, K.,Najbauer, E.E.,Ehrmann, F.R.,Radeva, N.,Zitzer, N.,Linne, U.,Linser, R.,Heine, A.,Klebe, G.
A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56:1908-1913, 2017
Cited by
PubMed: 28097765
DOI: 10.1002/anie.201609824
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.03 Å)
Structure validation

221051

건을2024-06-12부터공개중

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