Xinli Liao

Xiamen University, Xiamen, Fujian, China

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Publications (10)23.55 Total impact

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    ABSTRACT: Pyrazinamide (PZA) is a first-line drug for tuberculosis (TB) treatment and is responsible for shortening the duration of TB therapy. The mode of action of PZA remains elusive. RpsA, the ribosomal protein S1 of Mycobacterium tuberculosis (Mtb), was recently identified as a target of PZA based on its binding activity to pyrazinoic acid (POA), the active form of PZA. POA binding to RpsA led to the inhibition of trans-translation. However, the nature of the RpsA-POA interaction remains unknown. Key questions include why POA exhibits an exquisite specificity to RpsA of Mtb and how RpsA mutations confer PZA resistance. Here, we report the crystal structures of the C-terminal domain of RpsA of Mtb and its complex with POA, as well as the corresponding domains of two RpsA variants that are associated with PZA resistance. Structural analysis reveals that POA binds to RpsA through hydrogen-bonds and hydrophobic interactions, mediated mainly by residues (Lys303, Phe307, Phe310 and Arg357) that are essential for tmRNA binding. Conformational changes induced by mutation or sequence variation at the C-terminus of RpsA abolish the POA binding activity. Our findings provide insights into the mode of action of PZA and molecular basis of PZA resistance associated with RpsA mutations. This article is protected by copyright. All rights reserved.
    Molecular Microbiology 11/2014; · 5.03 Impact Factor
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    ABSTRACT: AK1 (Adenylate Kinase 1) plays crucial roles in processes such as cellular phosphotransfer networks, neuronal maturation and regeneration, gating of ABC transporter CFTR, tumor cell metabolism and myocardial energetic homeostasis. Here we report (1)H, (15)N and (13)C backbone and side-chain resonance assignments of the human AK1 protein in apo form. This work lays the essential basis for the further structure determination of hAK1.
    Biomolecular NMR Assignments 06/2012; · 0.64 Impact Factor
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    ABSTRACT: We demonstrate the feasibility of the measurement of up to nine deuterium spin relaxation rates in 13CHD2 and 13CH2D methyl isotopomers of small proteins. In addition to five measurable 2H relaxation rates in a 13CH2D methyl group (Millet, O.; Muhandiram, D. R.; Skrynnikov, N. R.; Kay, L. E. J. Am. Chem. Soc. 2002, 124, 6439-48), the measurement of additional four rates of (nearly) single-exponentially decaying magnetization terms in methyl groups of the 13CHD2 variety is reported. Consistency relationships between 2H spin relaxation rates measured in the two different types of methyl groups are derived and verified experimentally for a subset of methyl-containing side chains in the protein ubiquitin. A detailed comparison of methyl-bearing side-chain dynamics parameters obtained from relaxation measurements in 13CH2D and 13CHD2 methyls of ubiquitin at 10, 27, and 40 °C reveals that transverse 2H relaxation rates in 13CHD2 groups are reliable and accurate reporters of the amplitudes of methyl 3-fold axis motions (S(axis)2) for protein molecules with global molecular tumbling times τ(C) >~9 ns. For smaller molecules, simple correction of transverse 2H relaxation rates in 13CHD2 groups is sufficient for the derivation of robust measures of order. Residue-specific distributions of S(axis)2 are consistent with atomic-detail molecular dynamics (MD) results. Both 13CHD2- and 13CH2D-derived S(axis)2 values are in good overall agreement with those obtained from 1 μs MD simulations at all the three temperatures, although some differences in the site-specific temperature dependence between MD- and 2H-relaxation-derived S(axis)2 values are observed.
    The Journal of Physical Chemistry B 11/2011; 116(1):606-20. · 3.61 Impact Factor
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    ABSTRACT: A two-dimensional TROSY-based SIM-(13)C(m)-(1)H(m)/(1)H-(15)N NMR experiment for simultaneous measurements of methyl (1) D (CH) and backbone amide (1) D (NH) residual dipolar couplings (RDC) in {U-[(15)N,(2)H]; Ileδ1-[(13)CH(3)]; Leu,Val-[(13)CH(3)/(12)CD(3)]}-labeled samples of large proteins is described. Significant variation in the alignment tensor of the 82-kDa enzyme Malate synthase G is observed as a function of only slight changes in experimental conditions. The SIM-(13)C(m)-(1)H(m)/(1)H-(15)N data sets provide convenient means of establishing the alignment tensor characteristics via the measurement of (1) D (NH) RDCs in the same protein sample.
    Journal of Biomolecular NMR 09/2011; 51(1-2):191-8. · 2.85 Impact Factor
  • Xinli Liao, Vitali Tugarinov
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    ABSTRACT: In NMR spectra of partially deuterated proteins methyl correlations are commonly observed as a combination of signals from ¹³CH₃, ¹³CH₂D and ¹³CHD₂ isotopomers. In a number of NMR applications, methyl groups of the ¹³CHD₂ variety are targeted because of their AX-like character and concomitant simplification of the involved relaxation mechanisms. Although complete elimination of signals from ¹³CH₂D methyl groups can be easily achieved in such applications, if the magnetization is not transferred through deuterium nuclei, efficient suppression of usually stronger ¹³CH₃ peaks is more problematic. A pair of simple pulse-scheme elements are presented that achieve almost complete suppression of ¹³CH₃ signals in the mixtures of ¹³CH₃/¹³CH₂D/¹³CHD₂ methyl isotopomers of small proteins at the expense of a moderate (∼20-to-40%) reduction in intensities of the targeted ¹³CHD₂ groups. The approaches described are based purely on scalar coupling (¹J(CH)) evolution properties of different ¹³C and ¹H transitions within ¹³CH₃ spin-systems and are superior to magnetization transfer through deuterons with respect to sensitivity of the detected ¹³CHD₂ methyl signals.
    Journal of Magnetic Resonance 03/2011; 209(1):101-7. · 2.30 Impact Factor
  • Qingrong Peng, Xinli Liao, Youzhu Yuan
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    ABSTRACT: Addition of n-C16H33P(m-C6H4SO3Na)2(CDPPDS) to TPPTS–rhodium (TPPTS=P(C6H4-m-SO3Na)3) or TPPDS–rhodium (TPPDS=C6H5P(C6H4-m-SO3Na)2) hydroformylation catalysts proved to be beneficial both for the reaction rate and normal aldehyde selectivity. Such positive effects were not simply summarized by the results of TPPTS– or TPPDS–rhodium and CDPPDS–rhodium. Emulsion formation was minimized and initial reaction rate went through maximum at the critical micelle concentration (CMC) of CDPPDS.
    Catalysis Communications 08/2004; 5(8):447-451. · 2.92 Impact Factor
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    Xinli Liao, Wei Wu, Yirong Mo, Qianer Zhang
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    ABSTRACT: Within the bonded tableau unitary group approach (BTUGA), a scheme, combined with Pauling’s resonance theory to select the predominant valence bond structures for VB calculations, is proposed. This scheme ensures a reliable and illustrative bonding picture in the description of chemical reactions, as exemplified by the isomerization reaction HNC↔HCN. The computation results account for important bonding features about this isomerization at the ab initio level and explore the mechanism of phenomena such as (i) HCN is more stable than HNC; (ii) the C-N bond first lengthens and then shortens in the vicinity of the transition state; (iii) only H-atom migration is observed in the isomerization process, without the breaking of the CN bond. Our results demonstrate that only a few bonded tableau functions are sufficient enough to provide a visual and reliable bonding picture.
    Science in China Series B Chemistry 07/2003; 46(4):361-370. · 1.20 Impact Factor
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    ABSTRACT: The catalytic performances of rhodium complexes with three new amphiphilic phosphine ligands, bis-(3-sodium sulfonatophenyl)-(4-tert-butylphenyl)-phosphine (3), phenyl-(3-sodium sulfonatophenyl)-(4-tert-butyl-phenyl)-phosphine (4) and bis-(4-tert-butylphenyl)-(3-sodium sulfonatophenyl) phosphine (5), in hydroformylation of 1-hexene, 1-octene and 1-dodecene have been studied. The steric attributes of free ligands are investigated by Tolman's cone angle method through geometric optimizations. The results reveal that the new phosphines are surface-active as the typical surfactants and the corresponding rhodium complexes show significant enhancements in the reaction rate and higher selectivities toward the normal aldehydes in comparison with those obtained by triphenylphosphine trisulfonate (TPPTS)- and triphenylphosphine disulfonate (TPPDS) rhodium complexes under identical conditions.
    Catalysis Letters 01/2003; 88(3):219-225. · 2.24 Impact Factor
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    ABSTRACT: A novel propagator approach for NMR signal attenuation due to anisotropic diffusion is proposed, with consideration of the loss of spin phase memory during random motion. This method is applied to explicitly investigate free diffusion, restricted diffusion between two parallel plates, and diffusions under different nonlinear gradients, including an n-order nonlinear field and gradient with a cosine distribution. The method provides an intuitive physical picture and simplifies the treatment with the effects of finite-width gradient pulses in restricted diffusion and with nonlinear gradients. Theoretical results are in good agreement with those of previous reports.
    Chemical Physics Letters 01/2001; · 2.15 Impact Factor
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    ABSTRACT: CcmG is a periplasmic, membrane-anchored protein widely distributed in a variety of species. In Escherichia coli, the CcmG protein always acts as a weak reductant in the electron transport chain during cytochrome c maturation (Ccm). Here we report 1H, 15N and 13C backbone and side-chain resonance assignments of the reduced CcmG protein (residues 19–185, renumbered as 1–167) from E. coli. This work lays the essential basis for the further structural and functional analysis of reduced CcmG.
    Biomolecular NMR Assignments 7(1). · 0.64 Impact Factor