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Both Ac-SRGTQTE peptides bind identically to their symmetry related binding sites forming a sixth β strand in the grooves created at the dimer interface (Figure 4F).
Two closely related binding modes have previously been proposed for the ATP-competitive benzimidazole class of checkpoint kinase 2 (CHK2) inhibitors; however, neither binding mode is entirely consistent with the reported SAR.
The present study was designed to investigate the effects of P-glycoprotein (P-gp) on the intestine and brain distribution of YZG-331 in vitro and in vivo as well as related binding mechanisms.
We successfully developed and applied the automated pocket detection method PocketPicker to the task of identifying ligand binding sites in proteins, and the task of clustering structurally related binding sites by shape and a buriedness index.
We pooled the data for patients with HLA B*57 and B*5801 as these alleles have highly related binding motifs, and both present the Gag TW10 epitope and select the T242N escape mutation [36].
Remarkably, the 100 best low resolution docking solutions for Mal lie at the TLR4 dimer interface indicating that dimer formation creates two specific symmetry related binding sites for this molecule.
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Bromodomain mutations were made in human TRIM24 (N980A) using site-directed mutagenesis (QuickChange, Agilent Technologies) with related binding-deficient mutations in ATAD2 (GeneCopoeia GC-Z44244) and SMARCA2 (GeneCopoeia GC-Z44244).
For Zn ions, three types of binding states were observed: (i) O-deficient Zn1+ (1,020 eV), (ii) Zn2+ in its full oxidation state (1,021.7 eV), and (iii) Zn-OH-related binding states (Zn-OH at 1,022.8 eV and Zn-OOH at 1,023.9 eV).
Here, we focus on the regulatory functions of G4s in tumor-related gene regulation and the use of G4s in the design of antitumor therapies, including relatively recently reported G4-related binding proteins, regulatory mechanisms, and G4-ligand designs.
To define potential cysteine-related binding motifs critical to hCB2-ligand interaction, a library of hCB2 cysteine-substitution mutants and a novel, high-affinity biarylpyrazole hCB2 antagonist/inverse agonist (AM1336) functionalized to serve as a covalent affinity probe to target cysteine residues within (or in the microenvironment of) its hCB2 binding pocket were generated.
In and Ga ions were also found to display the identical O- and OH-related binding states [see Additional file1: Figure S2 for In3d and Ga2p spectra].
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