<p>NDM-1 and compound 4 is shown as solid ribbon model and a stick model. Water-bridge and two zinc ions are shown as spheres, respectively. Key amino acids, His189, His120, His122, Asp124, Cys208 and His250, in active site are shown as line model.</p
<p>The labelled key amino acids are represented as a stick model with carbon atom as green, and othe...
<p>(A) The modeled <i>p</i>-nitrophenyl caproate, which is displayed as space-filling pattern, was b...
<p>The zinc metal cofactor and water are shown as grey and red spheres, respectively. The green dash...
<p>A. The active site of NDM-1 with two zinc ions and the coordinating residues. B. The comparison o...
<p>Water-bridge and two zinc ions are shown as spheres. Compound 4 and key amino acids are shown as ...
<p>(A) Figure shows the substrate peptide (QRATKM) binding in the active site of Balc424. Balc424 is...
<p>The drug modeling for, i. Bn1, ii. 2MP, iii. 2XP and iv. 3BS respectively with DNA, show the bin...
<p>(A) RMSD of two Zn<sup>2+</sup>, conserved H<sub>2</sub>O, VNI-41, and active site (atoms shown i...
(A) Structure of nsp14-N7-MTase bound to SAM (PDB id: 7TW7) (left). The secondary structure elements...
<p>Two protein ribbon models are shown for each structure: (A) 3CWM, (B) 3T1P and (C) M* Model. The ...
<p>Both ligand and binding site plasticity contributes to changes in the binding mode between the li...
<p>Overlaid snapshots of the ribbon diagrams of NDM-1 Cα atoms and VNI-41 compound around the active...
<p>Binding mode of ZINC72194123 (blue) and ZINC03871633 (yellow) is shown in ball and stick model wi...
<p>Model of the NOD2 nucleotide-binding site with an ADP molecule and conserved sequence motifs Walk...
<p><b>a</b> 3D model after MD simulations with detailed active site (in green) containing the C25, H...
<p>The labelled key amino acids are represented as a stick model with carbon atom as green, and othe...
<p>(A) The modeled <i>p</i>-nitrophenyl caproate, which is displayed as space-filling pattern, was b...
<p>The zinc metal cofactor and water are shown as grey and red spheres, respectively. The green dash...
<p>A. The active site of NDM-1 with two zinc ions and the coordinating residues. B. The comparison o...
<p>Water-bridge and two zinc ions are shown as spheres. Compound 4 and key amino acids are shown as ...
<p>(A) Figure shows the substrate peptide (QRATKM) binding in the active site of Balc424. Balc424 is...
<p>The drug modeling for, i. Bn1, ii. 2MP, iii. 2XP and iv. 3BS respectively with DNA, show the bin...
<p>(A) RMSD of two Zn<sup>2+</sup>, conserved H<sub>2</sub>O, VNI-41, and active site (atoms shown i...
(A) Structure of nsp14-N7-MTase bound to SAM (PDB id: 7TW7) (left). The secondary structure elements...
<p>Two protein ribbon models are shown for each structure: (A) 3CWM, (B) 3T1P and (C) M* Model. The ...
<p>Both ligand and binding site plasticity contributes to changes in the binding mode between the li...
<p>Overlaid snapshots of the ribbon diagrams of NDM-1 Cα atoms and VNI-41 compound around the active...
<p>Binding mode of ZINC72194123 (blue) and ZINC03871633 (yellow) is shown in ball and stick model wi...
<p>Model of the NOD2 nucleotide-binding site with an ADP molecule and conserved sequence motifs Walk...
<p><b>a</b> 3D model after MD simulations with detailed active site (in green) containing the C25, H...
<p>The labelled key amino acids are represented as a stick model with carbon atom as green, and othe...
<p>(A) The modeled <i>p</i>-nitrophenyl caproate, which is displayed as space-filling pattern, was b...
<p>The zinc metal cofactor and water are shown as grey and red spheres, respectively. The green dash...