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This computational approach was applied to structures of calmodulin (CaM), which have not been determined in complex with a VA.
Moreover, these structures have been determined in complex with m7G cap analogues and thus revealed the molecular details of the cap-binding site.
The crystal structures of the members of the two major molecular chaperone families of Hsp70 and Hsp60 have been determined in complex with the peptide substrates (14- 16).
(2) Additionally, for membrane proteins where crystal structures have been determined in complex with lipids/detergents, these structures have been found to correspond well with micelle-bound solution structures (e.g., ref (51)).
Three-dimensional structures of the catalytic core of pol ι have been determined in complex with various DNA substrates with/without incoming nucleotides, which would be useful for the mechanistic understanding of genetic variants.
The structure of Ro48-8071, whish is an orally active inhibitor of human hepatic OSC, has been determined in complex with the squalene-hopene cyclase (SHC), the prokaryotic counterpart of OSCs, responsible for the conversion of squalene into cyclic compounds in bacteria, and it is suggested that Ro reacts with the expected binding site for squalene.
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Structures of RT have been determined in complexes with substrates and/or inhibitors, and the structures have illuminated different conformational and functional states of the enzyme.
In addition, the enzyme's structure was determined in complex with several inhibitors.
Here, the structure of this P47H mutant was determined in complex with NADH to 2.5 Å resolution.
To gain further insight into albumin binding chemistry, the crystal structures of six oncology agents were determined in complex with human serum albumin at resolutions of 2.8 to 2.0 Å: camptothecin, 9-amino-camptothecin, etoposide, teniposide, bicalutamide and idarubicin.
The crystal structure of G117E HDAC8 was determined in complex with the hydroxamate inhibitor TSA at 2.9 Å resolution.
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