Figure 4: Specific protein–ligand interactions between thionamide drugs and the HLA proteins identified in this work. | Nature Communications

Figure 4: Specific protein–ligand interactions between thionamide drugs and the HLA proteins identified in this work.

From: Genetic determinants of antithyroid drug-induced agranulocytosis by human leukocyte antigen genotyping and genome-wide association study

Figure 4

(a) Methimazole-HLA-B*38:02. (b) Propylthiouracil-HLA-B*38:02. (c) Methimazole-HLA-B*38:01. (d) Propylthiouracil-HLA-B*38:01. (e) Methimazole-HLA-DRA/DRB1*08:03. (f) Propylthiouracil-HLA-DRA/DRB1*08:03 complexes. The predicted binding affinities are within the range between −4.48 and −6.36 kcal mol−1.

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