Nuclear magnetic resonance solution structures, empirical structure-activity and structure-toxicity models were used to design synthetic octapeptins active against MDR and extensively drug-resistant (XDR) bacteria.
Despite this relatively low level of sequence conservation, the nuclear magnetic resonance solution structure of the pol λ BRCT domain shows an overall fold and spatial arrangement of secondary structural elements (five short β-strands that constitute the core of the domain, flanked by α-helices 1 3) that is observed in the structures of the BRCT domains of pol μ and TdT.
Chemical shift assignments of backbone and side-chain atoms (H, C, N) were obtained using the following double and triple resonance solution NMR experiments: H N-HSQC, H N-HSQCSQC, H C-CT-HSQCB, CBCA(CO)NH C-CT-HSQC, H C-CT-HSQC HNCACO)NHNCACBH-TOCBCA CO NHB(CC CO NHE, and (HBHA CO NH)H CCCO NHported in ref (26).
The nuclear magnetic resonance solution structure reveals that the major conformation of the loop, 5′GAGU/3′UGAG, is novel and contains two unusual Watson Crick/Hoogsteen GG pairs with G residues in the syn conformation, two A residues stacked on each other in the center of the helix with inverted sugars, and two bulged-out U residues.
A high-quality nuclear magnetic resonance solution structure of the J-domain of DNAJA1 combined with a bioinformatics analysis and a ligand affinity screen identifies a potential DnaK binding site, which is also predicted to overlap with an inhibitory binding site, suggesting DNAJA1 activity is highly regulated.
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23 Appreciable RQCs are also seen on the dioxane-d8 resonance in solutions of NapFF at high pD and CaCl2-triggered gels.
For that we need to justify the expansion (1.2)—see Theorem 5. Harmonic inversion methods, the first being the celebrated Prony algorithm [217], can then be used to extract scattering resonances from solutions of the wave equation (as shown in Fig. 7; see for instance [171]).
From this point of view chaotic motion is seen as a particular type of instability of the secondary resonance periodic solution, the instability which manifests itself by random-like oscillations of the subultra-harmonic amplitudes and precedes the strict loss of stability: i.e., the decay of the amplitudes.
More recently, equilibrium dissociation constants (Kd) derived from surface plasmon resonance (SPR) solution affinity measurements or from the displacement of tritiated mannose from the receptor-binding domain (RBD) of FimH, consistently approved the strong preference of FimH for oligomannosides exposing Manα1,3Man at the non-reducing end of the D1 arm of high-mannose glycans [26].
