Structural modeling and molecular dynamics studies on the human LMTK3 domain and the mechanism of ATP binding.

abstract：:The mono-site mutations of the absolutely conserved residues, (464)LGR(466), in the α-helix 5 (h5) of HPV16 L1 completely disrupted the pentamer formation. The implication of this finding is the potential usage of a h5-like peptide as the reagent to interfere with the pentamer formation and stability as an anti-HPV re...

journal_title：Molecular bioSystems

authors： Jin S,Pan D,Zha X,Yu X,Wu Y,Liu Y,Yin F,Chen XS

更新日期：2014-04-01 00:00:00

abstract：:Understanding the complexity of cancer biology requires extensive information about the cancer proteome over the course of the disease. The recent advances in mass spectrometry-based proteomics technologies have led to the accumulation of an incredible amount of such proteomic information. This information allows us t...

journal_title：Molecular bioSystems

authors： Miah S,Banks CA,Adams MK,Florens L,Lukong KE,Washburn MP

更新日期：2016-12-20 00:00:00

abstract：:Cancers frequently develop resistance to paclitaxel but the underlying molecular mechanisms remain to be determined. We have investigated the proteins that are associated with the paclitaxel resistance in human breast cancer MCF-7 cells using proteomic analysis. Paclitaxel resistant human breast cancer MCF-7 cells (MC...

journal_title：Molecular bioSystems

authors： Chen S,Dong Q,Hu S,Cai J,Zhang W,Sun J,Wang T,Xie J,He H,Xing J,Lu J,Dong Y

更新日期：2014-02-01 00:00:00

abstract：:As a potential target for the treatment of schizophrenia, the dual cAMP/cGMP hydrolyzing enzyme PDE10A has attracted a significant amount of attention. In the present work, the inhibition mechanism of 116 structurally diverse quinoline derivatives as PDE10A inhibitors was explored by 3D-QSAR, molecular docking and mol...

journal_title：Molecular bioSystems

authors： Wu Q,Gao Q,Guo H,Li D,Wang J,Gao W,Han C,Li Y,Yang L

更新日期：2013-03-01 00:00:00

abstract：:MicroRNAs are a predominant type of small non-coding RNAs approximately 21 nucleotides in length that play an essential role at the post-transcriptional level by either RNA degradation, translational repression or both through an RNA-induced silencing complex. Identification of these molecules can aid the dissecting o...

journal_title：Molecular bioSystems

authors： Yao Y,Ma C,Deng H,Liu Q,Zhang J,Yi M

更新日期：2016-10-20 00:00:00

abstract：:Individuals infected with the human immunodeficiency virus (HIV) often suffer from concomitant metabolic complications. Treatment with antiretroviral therapy has also been shown to alter the metabolism of patients. Although chemometric analysis of nuclear magnetic resonance (NMR) spectra of human sera can distinguish ...

journal_title：Molecular bioSystems

authors： McKnight TR,Yoshihara HA,Sitole LJ,Martin JN,Steffens F,Meyer D

更新日期：2014-11-01 00:00:00

abstract：:A new transfection reagent based on nucleoside phosphocholine amphiphile leading to high transfection efficacy and low cytotoxicity is described. TEM, ethidium bromide displacement assays, agarose gel electrophoresis and SAXS studies support the formation of lipoplexes for the transfection of CHO cells. ...

journal_title：Molecular bioSystems

authors： Moreau L,Barthélémy P,Li Y,Luo D,Prata CA,Grinstaff MW

更新日期：2005-09-01 00:00:00

abstract：:Drug promiscuity is one of the key issues in current drug development. Many famous drugs have turned out to behave unexpectedly due to their propensity to bind to multiple targets. One of the primary reasons for this promiscuity is that drugs bind to multiple distinctive target environments, a feature that we call mul...

journal_title：Molecular bioSystems

authors： Park K,Lee S,Ahn HS,Kim D

更新日期：2009-08-01 00:00:00

abstract：:Regulatory networks are able to process complex signals and respond appropriately to the cellular context. Thus, an increasing effort by systems biology researchers is being focused on understanding which interactions are responsible for a given functional response. When translated into specific mathematical models, h...

journal_title：Molecular bioSystems

authors： Estrada J,Guantes R

更新日期：2013-02-02 00:00:00

abstract：:The protein kinase C (PKC) family of serine/threonine kinases is an attractive drug target for the treatment of cancer and other diseases. Diacylglycerol (DAG), phorbol esters and others act as ligands for the C1 domain of PKC isoforms. Inspection of the crystal structure of the PKCδ C1b subdomain in complex with phor...

journal_title：Molecular bioSystems

authors： Mamidi N,Gorai S,Mukherjee R,Manna D

更新日期：2012-04-01 00:00:00

abstract：:We recently reported a chemical genetic method for generating bivalent inhibitors of protein kinases. This method relies on the use of the DNA repair enzyme O(6)-alkylguanine-DNA alkyltransferase (AGT) to display an ATP-competitive inhibitor and a ligand that targets a secondary binding domain. With this method potent...

journal_title：Molecular bioSystems

authors： Hill ZB,Perera BG,Maly DJ

更新日期：2011-02-01 00:00:00

abstract：:RNA-binding proteins (RBPs) are key regulators of gene expression. Some long non-coding RNAs (lncRNAs) affect gene expression by interacting with RBPs. However, whether this influences the biological characteristics of lncRNAs in diseases still remains unknown. Here, we classify lncRNAs into two categories, using the ...

journal_title：Molecular bioSystems

authors： Zhang Q,Wei Y,Yan Z,Wu C,Chang Z,Zhu Y,Li K,Xu Y

更新日期：2017-06-01 00:00:00

abstract：:Identification of MHC binding peptides is essential for understanding the molecular mechanism of immune response. However, most of the prediction methods use motifs/profiles derived from experimental peptide binding data for specific MHC alleles, thus limiting their applicability only to those alleles for which such d...

journal_title：Molecular bioSystems

authors： Kumar N,Mohanty D

更新日期：2010-12-01 00:00:00

abstract：:The ectonucleotide phosphodiesterase/pyrophosphatase-1 (NPP1) is a type II transmembrane glycoprotein that regulates extracellular inorganic purine nucleotide and inorganic diphosphate levels through the hydrolysis of ATP into AMP and diphosphate. NPP1 is a promising drug target as it plays a role in several disorders...

journal_title：Molecular bioSystems

authors： Barbeau X,Mathieu P,Paquin JF,Lagüe P

更新日期：2017-05-30 00:00:00

abstract：:Recently, the development of Src/Abl (c-Src/Bcr-Abl tyrosine kinases) dual inhibitors has attracted considerable attention from the research community for treatment of malignancies. In order to explore the different structural features impacting the Src and Abl inhibitory activities of N(9)-arenethenyl purines and to ...

journal_title：Molecular bioSystems

authors： Ma S,Zeng G,Fang D,Wang J,Wu W,Xie W,Tan S,Zheng K

更新日期：2015-02-01 00:00:00

abstract：:As the usage of fluorescence microscopy as a tool to study biological systems continues to grow, so does the need for additional tools that permit the selective detection of proteins of interest. Existing selective and well-characterized kinase inhibitors may be exploited to develop novel small molecule probes useful ...

journal_title：Molecular bioSystems

authors： Zhang Z,Kwiatkowski N,Zeng H,Lim SM,Gray NS,Zhang W,Yang PL

更新日期：2012-10-01 00:00:00

abstract：:The multidrug resistance (MDR) system actively pumps antibiotics out of cells causing serious health problems. During the pumping, AcrB (one of the key components of MDR) undergoes a series of large-scale and proton-motive conformational changes. Capturing the conformational changes through all-atom simulations is cha...

journal_title：Molecular bioSystems

authors： Jewel Y,Liu J,Dutta P

更新日期：2017-09-26 00:00:00

abstract：:It is not surprising that a large number of diseases related to amyloid fibril depositions are formed in various organs. Therefore, it is necessary to understand the transformation of native proteins into amyloid fibrils in order to clarify which key elements of this process determine the pathway of protein misfolding...

journal_title：Molecular bioSystems

authors： Galzitskaya OV

更新日期：2015-08-01 00:00:00

abstract：:Structural insight into DNA quadruplex structures formed by oligodeoxyribonucleotides 3'TG5'-5'GGGT3' (QS55) and 5'TG3'-3'GGGT5' (QS33) is presented. NMR analysis reveals that QS33 forms a parallel-like four-fold symmetric quadruplex, while QS55 possesses a two-fold symmetry and is characterized by a tetrameric antipa...

journal_title：Molecular bioSystems

authors： Galeone A,Mayol L,Virgilio A,Virno A,Randazzo A

更新日期：2008-05-01 00:00:00

abstract：:All trans-retinoic acid (ATRA) is widely used to direct the differentiation of cultured stem cells. When exposed to the pluripotent human embryonal carcinoma (EC) stem cell line, TERA2.cl.SP12, ATRA induces ectoderm differentiation and the formation of neuronal cell types. We report in this study that novel polyene ch...

journal_title：Molecular bioSystems

authors： Clemens G,Flower KR,Gardner P,Henderson AP,Knowles JP,Marder TB,Whiting A,Przyborski S

更新日期：2013-12-01 00:00:00

abstract：:Classical Hodgkin lymphoma (cHL) is a malignancy with complex pathogenesis. The hallmark of the disease is the presence of large mononucleated Hodgkin and bi- or multinucleated Reed/Sternberg (H/RS) cells. The origin of HRS cells in cHL is controversial as these cells show the coexpression of markers of several lineag...

journal_title：Molecular bioSystems

authors： Vergara D,Simeone P,De Matteis S,Carloni S,Lanuti P,Marchisio M,Miscia S,Rizzello A,Napolitano R,Agostinelli C,Maffia M

更新日期：2016-01-01 00:00:00

abstract：:Many Gram-negative bacterial pathogens use type III secretion systems (TTSSs) for subverting the normal cellular functions of their target eukaryotic cells. The type III secretion apparatus (TTSA) functions like a syringe to inject proteins through an external needle and into a target cell's membrane and cytosol. The ...

journal_title：Molecular bioSystems

authors： Wang Y,Zhang L,Picking WL,Picking WD,De Guzman RN

更新日期：2008-12-01 00:00:00

abstract：:It is now widely accepted that microRNAs (miRNAs or miRs) along with transcription factors (TFs) weave a complex inter-regulatory network within the cell that is responsible for the combinatorial regulation of gene expression. Recently we have shown that miRNAs and TFs that form network clusters are also associated wi...

journal_title：Molecular bioSystems

authors： Sengupta D,Bandyopadhyay S

更新日期：2013-06-01 00:00:00

abstract：:The eIF4E-binding protein 1 (4EBP1) has long been known to be completely unstructured without any secondary structures, which contributed significantly to the proposal of the induced fit mechanism for target binding of intrinsically disordered proteins. We show here that 4EBP1 is not completely unstructured, but conta...

journal_title：Molecular bioSystems

authors： Kim DH,Lee C,Cho YJ,Lee SH,Cha EJ,Lim JE,Sabo TM,Griesinger C,Lee D,Han KH

更新日期：2015-02-01 00:00:00

abstract：:Information on extracellular signals and conditions is often transduced by biological systems using cascades of protein phosphorylation that affect the activity of enzymes, the localization of proteins and gene expression. A model to study signal transduction is the response of the yeast Saccharomyces cerevisiae to os...

journal_title：Molecular bioSystems

authors： Soufi B,Kelstrup CD,Stoehr G,Fröhlich F,Walther TC,Olsen JV

更新日期：2009-11-01 00:00:00

abstract：:Peptidylarginine deiminase (PAD) catalyzes the posttranslational citrullination of selected proteins in a calcium dependent manner. The PAD4 isoform has been implicated in multiple sclerosis, rheumatoid arthritis, some types of cancer, and plays a role in gene regulation. However, the substrate selectivity of PAD4 is ...

journal_title：Molecular bioSystems

authors： Guo Q,Bedford MT,Fast W

更新日期：2011-07-01 00:00:00

abstract：:Ligand-induced conditional protein splicing (CPS) using a split intein allows the covalent reconstitution of a protein from two polypeptide fragments. The small molecule rapamycin binds to the fused FKBP and FRB dimerizer domains and thereby induces folding of the split intein, which then removes itself in the trans-s...

journal_title：Molecular bioSystems

authors： Sonntag T,Mootz HD

更新日期：2011-06-01 00:00:00

abstract：:Lovastatin and other statins inhibit HMG-CoA reductase, which carries out an early step in the sterol biosynthesis pathway. Statins lower cholesterol and are widely prescribed to prevent heart disease, but like many drugs, they can interact with nutritionally acquired metabolites. To probe these interactions, we explo...

journal_title：Molecular bioSystems

authors： Fowler DM,Cooper SJ,Stephany JJ,Hendon N,Nelson S,Fields S

更新日期：2011-02-01 00:00:00

abstract：:Plant stress hormones, such as jasmonates (JAs) and ethylene (ET) are essential in plant defence against stress conditions. JAs are used in cosmetics and food flavouring, and the recently demonstrated anti-cancer activity of JAs highlights their potential in health protection. It reinforces the need for a better under...

journal_title：Molecular bioSystems

authors： Schweighofer A,Meskiene I

更新日期：2008-08-01 00:00:00

abstract：:The chemical composition of the cervical mucus (CM), its physical characteristics and the volume of secretion change cyclically throughout the menstrual cycle. The aim of this study was to identify the constitutive protein composition of CM of fertile women and the changes in the CM proteome throughout the menstrual c...

journal_title：Molecular bioSystems

authors： Grande G,Milardi D,Vincenzoni F,Pompa G,Biscione A,Astorri AL,Fruscella E,De Luca A,Messana I,Castagnola M,Marana R

更新日期：2015-06-01 00:00:00