Macromolecular assemblages. Theory and simulation.

Abstract:

:A selection of World Wide Web sites relevant to papers published in this issue of Current Opinion in Structural Biology.

journal_name

Curr Opin Struct Biol

authors

Lakey JH,Reddy BV,Murray-Rust J

doi

10.1016/s0959-440x(00)00182-2

subject

Has Abstract

pub_date

2001-04-01 00:00:00

pages

139-40

issue

2

eissn

0959-440X

issn

1879-033X

pii

S0959-440X(00)00182-2

journal_volume

11

pub_type

  • Prediction of protein-protein interactions: the CAPRI experiment, its evaluation and implications.

    abstract::Given the increasing interest in protein-protein interactions, the prediction of these interactions from sequence and structural information has become a booming activity. CAPRI, the community-wide experiment for assessing blind predictions of protein-protein interactions, is playing an important role in fostering pro...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2004.02.003

    authors: Wodak SJ,Méndez R

    更新日期:2004-04-01 00:00:00

  • Core-directed protein design.

    abstract::For various reasons, it seems sensible to redesign or design proteins from the inside out. Past approaches in this field have involved iterations of mutagenesis and characterisation to 'evolve' designs. Increasingly, combinatorial approaches are being taken to select 'fit' sequences from libraries of variant proteins....

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/s0959-440x(00)00234-7

    authors: Woolfson DN

    更新日期:2001-08-01 00:00:00

  • Macromolecular crowding: an important but neglected aspect of the intracellular environment.

    abstract::Biological macromolecules have evolved over billions of years to function inside cells, so it is not surprising that researchers studying the properties of such molecules, either in extracts or in purified form, take care to control factors that reflect the intracellular environment, such as pH, ionic strength and com...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/s0959-440x(00)00172-x

    authors: Ellis RJ

    更新日期:2001-02-01 00:00:00

  • Recent progress in molecular simulation methods for drug binding kinetics.

    abstract::Due to the contribution of drug-target binding kinetics to drug efficacy, there is a high level of interest in developing methods to predict drug-target binding kinetic parameters. During the review period, a wide range of enhanced sampling molecular dynamics simulation-based methods has been developed for computing d...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2020.06.022

    authors: Nunes-Alves A,Kokh DB,Wade RC

    更新日期:2020-10-01 00:00:00

  • The role of NMR spectroscopy in mapping the conformational landscape of GPCRs.

    abstract::Over recent years, nuclear magnetic resonance (NMR) spectroscopy has developed into a powerful mechanistic tool for the investigation of G protein-coupled receptors (GPCRs). NMR provides insights which underpin the dynamic nature of these important receptors and reveals experimental evidence for a complex conformation...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2019.03.030

    authors: Bostock MJ,Solt AS,Nietlispach D

    更新日期:2019-08-01 00:00:00

  • Structural biology of bacterial pathogenesis.

    abstract::Recent years have seen a rapid increase in structural information on proteins implicated in bacterial pathogenesis. The different modes by which bacteria establish contact with their host tissues are exemplified by the structures of bacterial adhesins in complex with their cognate host receptor. A more detailed struct...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2004.03.004

    authors: Remaut H,Waksman G

    更新日期:2004-04-01 00:00:00

  • Simulation of the structure and dynamics of nonhelical RNA motifs.

    abstract::Computer simulation methods are increasingly being used to study possible conformations and dynamics of structural motifs in RNA. Recent results of molecular dynamics simulations and continum solvent studies of RNA structures and RNA-ligand complexes show promising agreement with experimental data. Combined with the o...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章

    doi:10.1016/s0959-440x(00)00089-0

    authors: Zacharias M

    更新日期:2000-06-01 00:00:00

  • Structural dynamics in DNA damage signaling and repair.

    abstract::Changing macromolecular conformations and complexes are critical features of cellular networks, typified by DNA damage response pathways that are essential to life. These fluctuations enhance the specificity of macromolecular recognition and catalysis, and enable an integrated functioning of pathway components, ensuri...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2010.03.012

    authors: Perry JJ,Cotner-Gohara E,Ellenberger T,Tainer JA

    更新日期:2010-06-01 00:00:00

  • New insights into no-go, non-stop and nonsense-mediated mRNA decay complexes.

    abstract::Eukaryotes possess a variety of translational control mechanisms which function in the surveillance of mRNAs, discriminating between normal and aberrant translation elongation and termination, triggering mRNA decay. The three major evolutionarily conserved eukaryotic pathways are No-Go, Non-Stop and Nonsense-Mediated ...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2020.06.011

    authors: Powers KT,Szeto JA,Schaffitzel C

    更新日期:2020-12-01 00:00:00

  • Enzyme promiscuity of carbohydrate active enzymes and their applications in biocatalysis.

    abstract::The application of biocatalysis for the synthesis of glycans and glycoconjugates is a well-established and successful strategy, both for small and large scale synthesis. Compared to chemical synthesis, is has the advantage of high selectivity, but biocatalysis had been largely limited to natural glycans both in terms ...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2020.07.004

    authors: Pallister E,Gray CJ,Flitsch SL

    更新日期:2020-12-01 00:00:00

  • Interactions of the ribosome with mRNA and tRNA.

    abstract::Recent collection of high-resolution crystal structures of the 70S ribosome with mRNA and tRNA substrates enhances our knowledge of protein synthesis principles. A novel network of interactions between the ribosome in the elongation state and mRNA downstream from the A codon suggests that mRNA is stabilized and aligne...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2010.03.002

    authors: Demeshkina N,Jenner L,Yusupova G,Yusupov M

    更新日期:2010-06-01 00:00:00

  • Three-dimensional modeling of protein interactions and complexes is going 'omics.

    abstract::High-throughput interaction discovery initiatives have revealed the existence of hundreds of multiprotein complexes whose functions are regulated through thousands of protein-protein interactions (PPIs). However, the structural details of these interactions, often necessary to understand their function, are only avail...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2011.01.005

    authors: Stein A,Mosca R,Aloy P

    更新日期:2011-04-01 00:00:00

  • Clamp loaders and sliding clamps.

    abstract::A coherent view of the structure and function of DNA polymerase processivity factors (sliding clamps and clamp loaders) is emerging from recent structural studies. Crystal structures of sliding clamps from the T4 and RB69 bacteriophages, and from an archaebacterium expand the gallery of ring-shaped processivity factor...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/s0959-440x(02)00313-5

    authors: Jeruzalmi D,O'Donnell M,Kuriyan J

    更新日期:2002-04-01 00:00:00

  • The positions of radical intermediates in the active sites of adenosylcobalamin-dependent enzymes.

    abstract::The radical intermediates generated during the catalytic cycles of adenosylcobalamin-dependent enzymes occur in pairs. The positions of radicals residing on the cofactor, substrate or protein, relative to the position of the low-spin Co(2+) from the cob(II)alamin intermediate, can be extracted from electron paramagnet...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2003.10.011

    authors: Reed GH,Mansoorabadi SO

    更新日期:2003-12-01 00:00:00

  • New approaches to the dynamic interpretation and prediction of NMR relaxation data from proteins.

    abstract::NMR relaxation experiments of isotopically labeled proteins provide a wealth of information on reorientational global and local dynamics on nanosecond and subnanosecond timescales for folded and nonfolded proteins in solution. Recent methodological advances in the interpretation of relaxation data have led to a better...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/s0959-440x(03)00036-8

    authors: Brüschweiler R

    更新日期:2003-04-01 00:00:00

  • Advances in direct methods for protein crystallography.

    abstract::Recent advances in ab initio direct methods have enabled the solution of crystal structures of small proteins from native X-ray data alone, that is, without the use of fragments of known structure or the need to prepare heavy-atom or selenomethionine derivatives, provided that the data are available to atomic resoluti...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/s0959-440x(99)00020-2

    authors: Usón I,Sheldrick GM

    更新日期:1999-10-01 00:00:00

  • Opportunities for structure-based design of protease-directed drugs.

    abstract::As a result of the recent enormous technological progress, experimental structure determination has become an integral part of the development of drugs against disease-related target proteins. The post-translational modification of proteins is an important regulatory process in living organisms; one such example is ly...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2006.10.014

    authors: Mittl PR,Grütter MG

    更新日期:2006-12-01 00:00:00

  • Designing ensembles in conformational and sequence space to characterize and engineer proteins.

    abstract::Computational protein design - the search for amino acids that adopt defined structures and functions - has achieved significant successes in recent years. Design is often approached from the perspective of targeting the design objective one structure-sequence pair at a time. Here we summarize studies that take an alt...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2010.02.004

    authors: Friedland GD,Kortemme T

    更新日期:2010-06-01 00:00:00

  • Controlling entropy to tune the functions of intrinsically disordered regions.

    abstract::Intrinsically disordered regions (IDRs) are fundamental units of protein function and regulation. Despite their inability to form a unique stable tertiary structure in isolation, many IDRs adopt a defined conformation upon binding and achieve their function through their interactions with other biomolecules. However, ...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2014.05.007

    authors: Flock T,Weatheritt RJ,Latysheva NS,Babu MM

    更新日期:2014-06-01 00:00:00

  • Molecular dynamics simulations of nucleic acid-protein complexes.

    abstract::Molecular dynamics simulation studies of protein-nucleic acid complexes are more complicated than studies of either component alone-the force field has to be properly balanced, the systems tend to become very large, and a careful treatment of solvent and of electrostatic interactions is necessary. Recent investigation...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2007.12.012

    authors: Mackerell AD Jr,Nilsson L

    更新日期:2008-04-01 00:00:00

  • Using structure to inform carbohydrate binding module function.

    abstract::Generally, non-catalytic carbohydrate binding module (CBM) specificity has been shown to parallel the catalytic activity of the carbohydrate active enzyme (CAZyme) module it is appended to. With the rapid expansion in metagenomic sequence space for the potential discovery of new CBMs in addition to the recent emergenc...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2014.07.004

    authors: Abbott DW,van Bueren AL

    更新日期:2014-10-01 00:00:00

  • A cradle for new proteins: trigger factor at the ribosome.

    abstract::Newly synthesized proteins leave the ribosome through a narrow tunnel in the large subunit. During ongoing synthesis, nascent protein chains are particularly sensitive to aggregation and degradation because they emerge from the ribosome in an unfolded state. In bacteria, the first protein to interact with nascent chai...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2005.03.005

    authors: Maier T,Ferbitz L,Deuerling E,Ban N

    更新日期:2005-04-01 00:00:00

  • Carbohydrate microarrays - a new set of technologies at the frontiers of glycomics.

    abstract::Carbohydrate microarray technologies are new developments at the frontiers of glycomics. Results of 'proof of concept' experiments with carbohydrate-binding proteins of the immune system - antibodies, selectins, a cytokine and a chemokine - and several plant lectins indicate that microarrays of carbohydrates (glycocon...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2003.09.002

    authors: Feizi T,Fazio F,Chai W,Wong CH

    更新日期:2003-10-01 00:00:00

  • Probing the structural dynamics of proteins and nucleic acids with optical tweezers.

    abstract::Conformational changes are an essential feature of most molecular processes in biology. Optical tweezers have emerged as a powerful tool for probing conformational dynamics at the single-molecule level because of their high resolution and sensitivity, opening new windows on phenomena ranging from folding and ligand bi...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2015.06.006

    authors: Ritchie DB,Woodside MT

    更新日期:2015-10-01 00:00:00

  • A story with a good ending: tRNA 3'-end maturation by CCA-adding enzymes.

    abstract::CCA-adding enzymes (tRNA nucleotidyltransferases) are responsible for the maturation or repair of the functional 3' end of tRNAs. These enzymes are remarkable because they polymerize the essential nucleotides CCA onto the 3' terminus of tRNA precursors without using a nucleic acid template. Recent crystal structures, ...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2005.12.001

    authors: Xiong Y,Steitz TA

    更新日期:2006-02-01 00:00:00

  • Characterizing excited conformational states of RNA by NMR spectroscopy.

    abstract::Conformational dynamics is a hallmark of diverse non-coding RNA functions. During these functional processes, RNA molecules almost ubiquitously undergo conformational transitions that are tuned to meet distinct structural and kinetic requirements for proper function. A complete mechanistic understanding of RNA functio...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2015.02.011

    authors: Zhao B,Zhang Q

    更新日期:2015-02-01 00:00:00

  • Elucidating molecular mechanisms of functional conformational changes of proteins via Markov state models.

    abstract::Functional conformational changes of proteins can facilitate numerous biological events in cells. The Markov state model (MSM) built from molecular dynamics simulations provide a powerful approach to study them. We here introduce a protocol that is tailor-made for constructing MSMs to study the functional conformation...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2020.10.005

    authors: Wang X,Unarta IC,Cheung PP,Huang X

    更新日期:2020-10-27 00:00:00

  • Scoring functions for protein-protein interactions.

    abstract::The computational evaluation of protein-protein interactions will play an important role in organising the wealth of data being generated by high-throughput initiatives. Here we discuss future applications, report recent developments and identify areas requiring further investigation. Many functions have been develope...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2013.06.017

    authors: Moal IH,Moretti R,Baker D,Fernández-Recio J

    更新日期:2013-12-01 00:00:00

  • Myosin chaperones.

    abstract::The folding and assembly of myosin motor proteins is essential for most movement processes at the cellular, but also at the organism level. Importantly, myosins, which represent a very diverse family of proteins, require the activity of general and specialized folding factors to develop their full motor function. The ...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2013.11.002

    authors: Hellerschmied D,Clausen T

    更新日期:2014-04-01 00:00:00

  • The two faces of Janus: functional interactions and protein aggregation.

    abstract::Protein aggregation constitutes a constant threat for the living cell as is demonstrated by the several pathologies in which the mechanisms to prevent it fail. It is therefore a question of increasing importance to understand in detail the defence strategies. Here we discuss how molecular interactions can represent a ...

    journal_title:Current opinion in structural biology

    pub_type: 杂志文章,评审

    doi:10.1016/j.sbi.2011.11.007

    authors: Pastore A,Temussi PA

    更新日期:2012-02-01 00:00:00