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Comparison with Thermus thermophilus aspartate aminotransferase (tAAT) and Trypanosoma cruzi tyrosine aminotransferase (tTAT), used as templates for modeling GTK/β-lyase, showed that the PLP-binding site of GTK/β-lyase is highly conserved.
We developed a conceptual model of exceptions, a methodology for eliciting and modeling exceptions, and templates for modeling them in an extension of the Object-Process Methodology (OPM a system analysis and design methodology and language that uses a single graphical model for describing systems, including their timing exceptions, which has been shown to be an effective modeling methodology.
To select templates for modeling the IL-3 receptor α-chain, we searched for its homologous sequences using BLAST (http://www.ncbi.nlm.nih.gov/blast) against PDB database.
The co-crystal structures of ABCB1 from the mouse model in complex with QZ59-RRR and QZ59-SSS inhibitors were used as templates for modeling site-1 and site-2, respectively; while apoprotein-ABCB1 was used as a template for modeling the site-3 and site-4.
We selected 18 representative structures with large variation in the relative position of the N/C-lobes, while avoiding overrepresentation of any kinase, as templates for modeling (Table S3).
Thanks to tight integration of sequence, structure and function information, MODexplorer provides a comprehensive overview of the features of the target protein and of its homologs, helps in detecting remote homologs and facilitates the selection of templates for modeling.
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The ICL2 of the TSHR TMD_I shows a small α helix similar to that observed in some of the structures of GPCRs used as templates for modelling (Fig. 1 and Supplementary Fig. 1).
The ICL1 and ICL2 of the TSHR TMD_Ac show small α helices similar to those observed in some of the structures of GPCRs used as templates for modelling (Fig. 1 and Supplementary Fig. 1).
The ICL1 of the TSHR TMD_In shows a small α helix similar to that observed in two of the three structures of GPCRs used as templates for modelling (Fig. 1 and Supplementary Fig. 1).
1XPA and 1D4U were used as templates for modelling hydra XPA in Swiss Model.
Structures with the highest identity were extracted from the Protein Data Bank and used as templates for modelling.
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