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Indeed, topological analysis revealed that the binding cleft occupied by PET-16 is readily apparent in the ADP-state (Supporting Information, Figure S3D) but is not available in the reported crystal structures of the ATP-form (Supporting Information, Figure S3E and F).
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In particular, the binding site for Leu91 was completely occupied by Tyr124 and Asp140, whereas the cleft occupied by Ile92 in crystal form 1 and 2 was still present and even widened by a movement of Ile136.
The structure of TrSA in complex with NATG shows the active site cleft occupied by a smaller compound which could be identified as DANA, probably the product of a hydrolytic side reaction.
To overcome this problem, we generated DR1 multimers [ 7, 8], in which the analog peptide A12 was covalently linked, making it more likely that majority of the MHC molecule binding clefts are occupied by this peptide [ 9- 11].
Then, the cryo-EM density is gradually sliced from top to bottom, revealing the orthosteric binding sites occupied by GABA and the benzodiazepine site occupied by alprazolam.
To assess whether the binding site occupied by ML352 is kinetically independent of that occupied by HC-3, we pursued [H]HC-3 binding inhibition studies using membranes from HEK hCHT cells.
If Mg2+ does bind to our proteins, the additional Ca2+ ions has to compete with the same binding site(s) occupied by Mg2+, resulting in lower binding affinity.
The thermal stability of AR is only altered when the ligand binding domain is occupied by an agonist.
The asymmetric unit contains two pentamers and all binding sites were occupied by TxIA(A10L).
In the APO structure, this binding pocket was occupied by a sulfate ion.
Sites occupied by (CREB1, RAD21, JUND, FOXA2), were most enriched for p65 binding, whereas those occupied by (GATA3, TCF12, USF1), were most depleted.
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CEO of Professional Science Editing for Scientists @ prosciediting.com