6EO9

Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor

Replaces:  4NZE
Summary for 6EO9
Related6EO8
DescriptorProthrombin, Hirudin variant-2, DIMETHYL SULFOXIDE, ... (6 entities in total)
Functional Keywordshydrolase-hydrolase inhibitor complex, blood clotting
Biological sourceHomo sapiens (Human)
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Total number of polymer chains3
Total formula weight36744.46
Authors
Belviso, B.D.,Caliandro, R.,Aresta, B.M.,De Candia, M.,Altomare, C.D. (deposition date: 2017-10-09, release date: 2017-12-13, Last modification date: 2019-10-16)
Primary citationAltomare, C.D.,Belviso, B.D.,Caliandro, R.,Colucci, M.,Incampo, F.,Lopopolo, G.,Zaetta, G.,de Candia, M.
How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
J. Med. Chem., 57:8563-8575, 2014
PubMed: 25268757
DOI: 110.1021/jm5010754
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.84 Å)
Structure validation
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PDB entries from 2021-06-16