CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data.

Abstract:

:CS23D (chemical shift to 3D structure) is a web server for rapidly generating accurate 3D protein structures using only assigned nuclear magnetic resonance (NMR) chemical shifts and sequence data as input. Unlike conventional NMR methods, CS23D requires no NOE and/or J-coupling data to perform its calculations. CS23D accepts chemical shift files in either SHIFTY or BMRB formats, and produces a set of PDB coordinates for the protein in about 10-15 min. CS23D uses a pipeline of several preexisting programs or servers to calculate the actual protein structure. Depending on the sequence similarity (or lack thereof) CS23D uses either (i) maximal subfragment assembly (a form of homology modeling), (ii) chemical shift threading or (iii) shift-aided de novo structure prediction (via Rosetta) followed by chemical shift refinement to generate and/or refine protein coordinates. Tests conducted on more than 100 proteins from the BioMagResBank indicate that CS23D converges (i.e. finds a solution) for >95% of protein queries. These chemical shift generated structures were found to be within 0.2-2.8 A RMSD of the NMR structure generated using conventional NOE-base NMR methods or conventional X-ray methods. The performance of CS23D is dependent on the completeness of the chemical shift assignments and the similarity of the query protein to known 3D folds. CS23D is accessible at http://www.cs23d.ca.

journal_name

Nucleic Acids Res

journal_title

Nucleic acids research

authors

Wishart DS,Arndt D,Berjanskii M,Tang P,Zhou J,Lin G

doi

10.1093/nar/gkn305

subject

Has Abstract

pub_date

2008-07-01 00:00:00

pages

W496-502

issue

Web Server issue

eissn

0305-1048

issn

1362-4962

pii

gkn305

journal_volume

36

pub_type

杂志文章
  • The Mouse Gene Expression Database (GXD).

    abstract::The Gene Expression Database (GXD) is a community resource of gene expression information for the laboratory mouse. By combining the different types of expression data, GXD aims to provide increasingly complete information about the expression profiles of genes in different mouse strains and mutants, thus enabling val...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/29.1.98

    authors: Ringwald M,Eppig JT,Begley DA,Corradi JP,McCright IJ,Hayamizu TF,Hill DP,Kadin JA,Richardson JE

    更新日期:2001-01-01 00:00:00

  • DNA methylation in hereditary persistence of fetal hemoglobin (HPFH-2).

    abstract::Recent studies show that the region of DNA brought into close proximity to the fetal gamma-globin genes in deletional forms of hereditary persistence of fetal hemoglobin (HPFH) is selectively hypomethylated (and presumably active) in normal erythroid tissue. This region is normally located approximately 100 kilobases ...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/15.13.5169

    authors: Poncz M,Sutton M,Delgrosso K,Schwartz E,Surrey S

    更新日期:1987-07-10 00:00:00

  • A scale-space method for detecting recurrent DNA copy number changes with analytical false discovery rate control.

    abstract::Tumor formation is partially driven by DNA copy number changes, which are typically measured using array comparative genomic hybridization, SNP arrays and DNA sequencing platforms. Many techniques are available for detecting recurring aberrations across multiple tumor samples, including CMAR, STAC, GISTIC and KC-SMART...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkt155

    authors: van Dyk E,Reinders MJ,Wessels LF

    更新日期:2013-05-01 00:00:00

  • BioMuta and BioXpress: mutation and expression knowledgebases for cancer biomarker discovery.

    abstract::Single-nucleotide variation and gene expression of disease samples represent important resources for biomarker discovery. Many databases have been built to host and make available such data to the community, but these databases are frequently limited in scope and/or content. BioMuta, a database of cancer-associated si...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkx907

    authors: Dingerdissen HM,Torcivia-Rodriguez J,Hu Y,Chang TC,Mazumder R,Kahsay R

    更新日期:2018-01-04 00:00:00

  • Nuclear dynamics of topoisomerase IIβ reflects its catalytic activity that is regulated by binding of RNA to the C-terminal domain.

    abstract::DNA topoisomerase II (topo II) changes DNA topology by cleavage/re-ligation cycle(s) and thus contributes to various nuclear DNA transactions. It is largely unknown how the enzyme is controlled in a nuclear context. Several studies have suggested that its C-terminal domain (CTD), which is dispensable for basal relaxat...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gku640

    authors: Onoda A,Hosoya O,Sano K,Kiyama K,Kimura H,Kawano S,Furuta R,Miyaji M,Tsutsui K,Tsutsui KM

    更新日期:2014-08-01 00:00:00

  • Length heterogeneity of a conserved displacement-loop sequence in human mitochondrial DNA.

    abstract::Mitochondrial DNA from human tissue culture cells contains heterogeneous sequences located within a previously identified, evolutionarily conserved region termed CSB-2. CSB-2 is located near the origin of heavy-strand mitochondrial DNA synthesis and the major transcriptional promoters for each strand of human mitochon...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/13.22.8093

    authors: Hauswirth WW,Clayton DA

    更新日期:1985-11-25 00:00:00

  • An adaptation of the LMS method to determine expression variations in profiling data.

    abstract::One of the major issues in expression profiling analysis still is to outline proper thresholds to determine differential expression, while avoiding false positives. The problem being that the variance is inversely proportional to the log of signal intensities. Aiming to solve this issue, we describe a model, expressio...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkm093

    authors: Chuchana P,Marchand D,Nugoli M,Rodriguez C,Molinari N,Garcia-Sanz JA

    更新日期:2007-01-01 00:00:00

  • 5-Fluoro pyrimidines: labels to probe DNA and RNA secondary structures by 1D 19F NMR spectroscopy.

    abstract::(19)F NMR spectroscopy has proved to be a valuable tool to monitor functionally important conformational transitions of nucleic acids. Here, we present a systematic investigation on the application of 5-fluoro pyrimidines to probe DNA and RNA secondary structures. Oligonucleotides with the propensity to adapt secondar...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkp862

    authors: Puffer B,Kreutz C,Rieder U,Ebert MO,Konrat R,Micura R

    更新日期:2009-12-01 00:00:00

  • Solution structure of human P1•P2 heterodimer provides insights into the role of eukaryotic stalk in recruiting the ribosome-inactivating protein trichosanthin to the ribosome.

    abstract::Lateral ribosomal stalk is responsible for binding and recruiting translation factors during protein synthesis. The eukaryotic stalk consists of one P0 protein with two copies of P1•P2 heterodimers to form a P0(P1•P2)₂ pentameric P-complex. Here, we have solved the structure of full-length P1•P2 by nuclear magnetic re...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkt636

    authors: Lee KM,Yusa K,Chu LO,Yu CW,Oono M,Miyoshi T,Ito K,Shaw PC,Wong KB,Uchiumi T

    更新日期:2013-10-01 00:00:00

  • Sequence search on a supercomputer.

    abstract::A set of programs was developed for searching nucleic acid and protein sequence data bases for sequences similar to a given sequence. The programs, written in FORTRAN 77, were optimized for vector processing on a Hitachi S810-20 supercomputer. A search of a 500-residue protein sequence against the entire PIR data base...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/14.1.57

    authors: Gotoh O,Tagashira Y

    更新日期:1986-01-10 00:00:00

  • HOMCOS: a server to predict interacting protein pairs and interacting sites by homology modeling of complex structures.

    abstract::As protein-protein interactions are crucial in most biological processes, it is valuable to understand how and where protein pairs interact. We developed a web server HOMCOS (Homology Modeling of Complex Structure, http://biunit.naist.jp/homcos) to predict interacting protein pairs and interacting sites by homology mo...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkn218

    authors: Fukuhara N,Kawabata T

    更新日期:2008-07-01 00:00:00

  • Modeling of DNA local parameters predicts encrypted architectural motifs in Xenopus laevis ribosomal gene promoter.

    abstract::We have modeled local DNA sequence parameters to search for DNA architectural motifs involved in transcription regulation and promotion within the Xenopus laevis ribosomal gene promoter and the intergenic spacer (IGS) sequences. The IGS was found to be shaped into distinct topological domains. First, intrinsic bends s...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/28.18.3433

    authors: Roux-Rouquie M,Marilley M

    更新日期:2000-09-15 00:00:00

  • On the structure of poly d(A-S4T).

    abstract::The helical twist of poly d(A-s4T) was determined from the periodicity of the cleavage patterns of the double stranded polydeoxynucleotide adsorbed on calcium phosphate and found to be 14 bp per turn. Both cleavage patterns and 31P NMR spectra indicate a mononucleotide structure rather than an alternating B DNA like p...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/14.5.2241

    authors: Bökemeier W,Lezius AG

    更新日期:1986-03-11 00:00:00

  • Remodeling of chromatin structure within the promoter is important for bmp-2-induced fgfr3 expression.

    abstract::Fibroblast growth factor receptor 3 (FGFR3) plays an important role in cartilage development. Although upregulation of FGFR3 expression in response to bone morphogenetic protein-2 (BMP-2) has been reported, the molecular mechanisms remain unknown. In this study, we used in vivo approaches to characterize BMP-2-induced...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkp261

    authors: Sun F,Chen Q,Yang S,Pan Q,Ma J,Wan Y,Chang CH,Hong A

    更新日期:2009-07-01 00:00:00

  • Database Resources of the National Genomics Data Center, China National Center for Bioinformation in 2021.

    abstract::The National Genomics Data Center (NGDC), part of the China National Center for Bioinformation (CNCB), provides a suite of database resources to support worldwide research activities in both academia and industry. With the explosive growth of multi-omics data, CNCB-NGDC is continually expanding, updating and enriching...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkaa1022

    authors: CNCB-NGDC Members and Partners.

    更新日期:2021-01-08 00:00:00

  • Searching algorithm for type IV secretion system effectors 1.0: a tool for predicting type IV effectors and exploring their genomic context.

    abstract::Type IV effectors (T4Es) are proteins produced by pathogenic bacteria to manipulate host cell gene expression and processes, divert the cell machinery for their own profit and circumvent the immune responses. T4Es have been characterized for some bacteria but many remain to be discovered. To help biologists identify p...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkt718

    authors: Meyer DF,Noroy C,Moumène A,Raffaele S,Albina E,Vachiéry N

    更新日期:2013-11-01 00:00:00

  • The Gypsy Database (GyDB) of mobile genetic elements.

    abstract::In this article, we introduce the Gypsy Database (GyDB) of mobile genetic elements, an in-progress database devoted to the non-redundant analysis and evolutionary-based classification of mobile genetic elements. In this first version, we contemplate eukaryotic Ty3/Gypsy and Retroviridae long terminal repeats (LTR) ret...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkm697

    authors: Lloréns C,Futami R,Bezemer D,Moya A

    更新日期:2008-01-01 00:00:00

  • ProTox-II: a webserver for the prediction of toxicity of chemicals.

    abstract::Advancement in the field of computational research has made it possible for the in silico methods to offer significant benefits to both regulatory needs and requirements for risk assessments, and pharmaceutical industry to assess the safety profile of a chemical. Here, we present ProTox-II that incorporates molecular ...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gky318

    authors: Banerjee P,Eckert AO,Schrey AK,Preissner R

    更新日期:2018-07-02 00:00:00

  • The cAMP response element binding protein, CREB, is a potent inhibitor of diverse transcriptional activators.

    abstract::Cyclic AMP response element binding protein (CREB) activates transcription of cAMP response element (CRE)-containing promoters following an elevation of intracellular cAMP. Here we show that CREB and the highly related protein ATF-1 are also potent transcription inhibitors. Strikingly, CREB inhibits transcription of m...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/21.12.2907

    authors: Lemaigre FP,Ace CI,Green MR

    更新日期:1993-06-25 00:00:00

  • A Protein Classification Benchmark collection for machine learning.

    abstract::Protein classification by machine learning algorithms is now widely used in structural and functional annotation of proteins. The Protein Classification Benchmark collection (http://hydra.icgeb.trieste.it/benchmark) was created in order to provide standard datasets on which the performance of machine learning methods ...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkl812

    authors: Sonego P,Pacurar M,Dhir S,Kertész-Farkas A,Kocsor A,Gáspári Z,Leunissen JA,Pongor S

    更新日期:2007-01-01 00:00:00

  • Magnesium-dependent alternative foldings of active and inactive Escherichia coli tRNA(Glu) revealed by chemical probing.

    abstract::A stable conformer of Escherichia coli tRNA(Glu), obtained in the absence of Mg(2+), is inactive in the aminoacylation reaction. Probing it with diethylpyrocarbonate, dimethyl sulfate and ribonuclease V1 revealed that it has a hairpin structure with two internal loops; the helical segments at both extremities have the...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/27.17.3583

    authors: Madore E,Florentz C,Giegé R,Lapointe J

    更新日期:1999-09-01 00:00:00

  • Cloning of soybean leghemoglobin structural gene sequences synthesized in vitro.

    abstract::Double-stranded soybean leghemoglobin DNA was synthesized from leghemoglobin mRNA isolated from soybean nodules. The dsDNA was inserted into the Bam H1 site of plasmid pBR322 using the poly-dAT-joiner method. A cloned DNA fragment of one recombinant plasmid was isolated and characterized by restriction endonuclease di...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/6.9.3061

    authors: Truelsen E,Gausing K,Jochimsen B,Jørgensen P,Marcker KA

    更新日期:1979-07-11 00:00:00

  • c-Myc/Max heterodimers bind cooperatively to the E-box sequences located in the first intron of the rat ornithine decarboxylase (ODC) gene.

    abstract::The oncoprotein c-Myc plays an important role in cell proliferation, transformation, inhibition of differentiation and apoptosis. These functions most likely result from the transcription factor activity of c-Myc. As a heterodimer with Max, the c-Myc protein binds to the E-box sequence (CACGTG), which is also recogniz...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/25.8.1493

    authors: Walhout AJ,Gubbels JM,Bernards R,van der Vliet PC,Timmers HT

    更新日期:1997-04-15 00:00:00

  • Modification of the aminopyridine unit of 2'-deoxyaminopyridinyl-pseudocytidine allowing triplex formation at CG interruptions in homopurine sequences.

    abstract::The antigene strategy based on site-specific recognition of duplex DNA by triplex DNA formation has been exploited in a wide range of biological activities. However, specific triplex formation is mostly restricted to homo-purine strands within the target duplex DNA, due to the destabilizing effect of CG and TA inversi...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gky704

    authors: Wang L,Taniguchi Y,Okamura H,Sasaki S

    更新日期:2018-09-28 00:00:00

  • Effect of intron size on splicing efficiency in retroviral transcripts.

    abstract::To study the effect of intron size on splicing efficiency we have varied the size of the avian leukosis virus (ALV) env mRNA intron in a cloned ALV genome. This was accomplished by deletion of ALV sequences or insertion of phage lambda DNA. The effect of these modifications on splicing was analyzed by microinjection o...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/10.19.6177

    authors: Cullen BR,Kopchick JJ,Stacey DW

    更新日期:1982-10-11 00:00:00

  • Detection and identification of minor nucleotides in intact deoxyribonucleic acids by mass spectrometry.

    abstract::A mass spectral method is described for the detection and identification of unusual nucleotide residues present in DNAs. Analysis by this method of intact, underivatized DNA from salmon sperm, calf thymus, mouse L-cells, wheat germ, M. lysodeikticus, E. Coli, and the bacteriophages 0X-174, fd, and lamda, yields diagno...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/3.11.2959

    authors: Wiebers JL

    更新日期:1976-11-01 00:00:00

  • Evolutionarily divergent spliceosomal snRNAs and a conserved non-coding RNA processing motif in Giardia lamblia.

    abstract::Non-coding RNAs (ncRNAs) have diverse essential biological functions in all organisms, and in eukaryotes, two such classes of ncRNAs are the small nucleolar (sno) and small nuclear (sn) RNAs. In this study, we have identified and characterized a collection of sno and snRNAs in Giardia lamblia, by exploiting our discov...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gks887

    authors: Hudson AJ,Moore AN,Elniski D,Joseph J,Yee J,Russell AG

    更新日期:2012-11-01 00:00:00

  • Long noncoding RNA OCC-1 suppresses cell growth through destabilizing HuR protein in colorectal cancer.

    abstract::Overexpressed in colon carcinoma-1 (OCC-1) is one of the earliest annotated long noncoding RNAs (lncRNAs) in colorectal cancer (CRC); however, its function remains largely unknown. Here, we revealed that OCC-1 plays a tumor suppressive role in CRC. OCC-1 knockdown by RNA interference promotes cell growth both in vitro...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gky214

    authors: Lan Y,Xiao X,He Z,Luo Y,Wu C,Li L,Song X

    更新日期:2018-06-20 00:00:00

  • Construction of recombinant DNA by exonuclease recession.

    abstract::We describe a new exonuclease-based method for joining and/or constructing two or more DNA molecules. DNA fragments containing ends complementary to those of a vector or another independent molecules were generated by the polymerase chain reaction. The 3' ends of these molecules as well as the vector DNA were then rec...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/21.8.1889

    authors: Yang YS,Watson WJ,Tucker PW,Capra JD

    更新日期:1993-04-25 00:00:00

  • Molecular mechanism of introduction of the hidden break into the 28S rRNA of insects: implication based on structural studies.

    abstract::We determined the structure around the gap region between 28S alpha and 28S beta rRNA of Bombyx mori, a lepidopteran insect, to know the introduction mechanism of the hidden break, an interruption of the phosphodiester bond specific to the 28S rRNA of protostomes. Sequence analysis and S1 nuclease mapping suggested th...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/14.16.6393

    authors: Fujiwara H,Ishikawa H

    更新日期:1986-08-26 00:00:00