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Updated: Dec 27, 2025

Crystallization and Structural Determination of an Enzyme:Substrate Complex by Serial Crystallography in a Versatile Microfluidic Chip
Published on: March 20, 2021
X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX
Andrea Angeli1, Thomas S Peat2, Silvia Selleri3
1University of Florence, NEUROFARBA Dept., Pharmaceutical and Nutraceutical Section, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy; Centre of Advanced Research in Bionanoconjugates and Biopolymers Department, "Petru Poni" Institute of Macromolecular Chemistry, Iasi, Romania.
Abstract:
Epacadostat (EPA), a new and promising anti-cancer small molecule is firmly established as selective inhibitor of the enzyme indoleamine 2,3-dioxygenase 1 (IDO1). The X-Ray structure of the human CA IX mimic in complex with EPA is investigated here for the first time and compared to previously reported EPA-CA II adduct. The structural information obtained are all in agreement with the in vitro kinetic data which accounted for a selective inhibition of the CA IX over the CA II isoform.
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