… To date, only a handful of crystal structures of CYP3A4 … In this study, we determined the
crystal structure of CYP3A4 bound to fluorol … The high- and low-affinity fluorol docking sites were …

… We report the synthesis, X-ray crystal structure, and molecular recognition properties of
pillar[n]arene derivative P[6]AS, which we refer to as Pillar[6]MaxQ along with analogues P[5]AS …

… the crystal structures of human and zebrafish HDAC6 catalytic domains were first reported,3,
4 more than 50 X-ray crystal structures … to the high affinity of hydroxamate-bearing inhibitors. …

… We use temporal and structure-based splits to assess … in cases that assume that the crystal
structure is not available. In these … We evaluate our approach on the crystal structure and …

… To better understand the initial step of infection at atomic-level, we determined the crystal
structure of the 2019-nCoV spike receptor-binding domain (RBD) bound with the cell receptor …

… Here, we report the X-ray crystal structure of the complex of monomerized P17 bound to
the SARS-CoV-2 receptor binding domain (RBD) and investigated the binding activity of P17 …

… structures of hACE2 with RBDs of BA.1.1, BA.2, and BA.3 reveal that the higher hACE2 binding
affinity … and contributes to the higher hACE2 affinity of the BA.1.1 RBD than the BA.1 RBD. …

… linkage with high affinity to the target 3 . Hilgenfeld’s group reported earlier that a structure-…
and enteroviruses as demonstrated by crystal structure of inhibitor-protease complex 4 . The …

… We then aligned the available crystal structures of different BRDs to BPTF-DC-BPi-11 to
investigate the molecular basis of the selectivity (Figure S3). We found that the aspartic acid …

… X-ray crystal structure of compound 3b and YEATS4 and modeled binding pose of compound
3d. (A) X-ray crystal structure of compound 3b bound to YEATS4 at 2.58 Å resolution. PDB …