PubChem in 2021: new data content and improved web interfaces.

Abstract:

:PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource that serves the scientific community as well as the general public, with millions of unique users per month. In the past two years, PubChem made substantial improvements. Data from more than 100 new data sources were added to PubChem, including chemical-literature links from Thieme Chemistry, chemical and physical property links from SpringerMaterials, and patent links from the World Intellectual Properties Organization (WIPO). PubChem's homepage and individual record pages were updated to help users find desired information faster. This update involved a data model change for the data objects used by these pages as well as by programmatic users. Several new services were introduced, including the PubChem Periodic Table and Element pages, Pathway pages, and Knowledge panels. Additionally, in response to the coronavirus disease 2019 (COVID-19) outbreak, PubChem created a special data collection that contains PubChem data related to COVID-19 and the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).

journal_name

Nucleic Acids Res

journal_title

Nucleic acids research

authors

Kim S,Chen J,Cheng T,Gindulyte A,He J,He S,Li Q,Shoemaker BA,Thiessen PA,Yu B,Zaslavsky L,Zhang J,Bolton EE

doi

10.1093/nar/gkaa971

subject

Has Abstract

pub_date

2021-01-08 00:00:00

pages

D1388-D1395

issue

D1

eissn

0305-1048

issn

1362-4962

pii

5957164

journal_volume

49

pub_type

杂志文章
  • Automated design of hammerhead ribozymes and validation by targeting the PABPN1 gene transcript.

    abstract::We present a new publicly accessible web-service, RiboSoft, which implements a comprehensive hammerhead ribozyme design procedure. It accepts as input a target sequence (and some design parameters) then generates a set of ranked hammerhead ribozymes, which target the input sequence. This paper describes the implemente...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkv1111

    authors: Kharma N,Varin L,Abu-Baker A,Ouellet J,Najeh S,Ehdaeivand MR,Belmonte G,Ambri A,Rouleau G,Perreault J

    更新日期:2016-02-29 00:00:00

  • The intronerator: exploring introns and alternative splicing in Caenorhabditis elegans.

    abstract::The Intronerator (http://www.cse.ucsc.edu/ approximately kent/intronerator/ ) is a set of web-based tools for exploring RNA splicing and gene structure in Caenorhabditis elegans. It includes a display of cDNA alignments with the genomic sequence, a catalog of alternatively spliced genes and a database of introns. The ...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/28.1.91

    authors: Kent WJ,Zahler AM

    更新日期:2000-01-01 00:00:00

  • The Kluyveromyces gene encoding the general transcription factor IIB: structural analysis and expression in Saccharomyces cerevisiae.

    abstract::The Kluyveromyces lactis gene encoding the general transcription factor IIB (TFIIB) was isolated from a genomic library by complementation of the cold-sensitive phenotype conferred by a mutation in the SUA7 gene, which encodes TFIIB in Saccharomyces cerevisiae. DNA sequence analysis of the KI-SUA7 gene revealed a 357 ...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/21.15.3413

    authors: Na JG,Hampsey M

    更新日期:1993-07-25 00:00:00

  • Presence of regulatory sequences within intron 2 of the mouse thymidine kinase gene.

    abstract::The intron 2 of the murine thymidine kinase (TK) gene was observed to contain two DNase hypersensitive site. In vitro footprinting experiments indicated specific binding sites for nuclear proteins which were characterized within the sequence of intron 2. Two GC boxes (binding sites for transcription factor SP1) and tw...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/19.24.6805

    authors: Rotheneder H,Grabner M,Wintersberger E

    更新日期:1991-12-25 00:00:00

  • The Sulfolobus solfataricus radA paralogue sso0777 is DNA damage inducible and positively regulated by the Sta1 protein.

    abstract::Little is known about the regulation of the DNA damage-mediated gene expression in archaea. Here we report that the addition of actinomycin D to Sulfolobus solfataricus cultures triggers the expression of the radA paralogue sso0777. Furthermore, a specific retarded band is observed when electrophoretic mobility shift ...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkm782

    authors: Abella M,Rodríguez S,Paytubi S,Campoy S,White MF,Barbé J

    更新日期:2007-01-01 00:00:00

  • Comparative base compositions of chloroplast and cytoplasmic tRNAPhe's from Euglena gracilis.

    abstract::The nucleoside compositions of chloroplast and cytoplasmic tRNAPhe's from Euglena gracilis have been determined. The modified nucleoside compositions of these two tRNAs indicate that tRNAPheChl is more similar to procaryotic (E. coli) tRNAPhe than to either the Euglena cytoplasmic tRNAPhe or other eucaryotic cytoplasm...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/3.2.371

    authors: Hecker LI,Uziel M,Barnett WE

    更新日期:1976-02-01 00:00:00

  • Methods to increase reproducibility in differential gene expression via meta-analysis.

    abstract::Findings from clinical and biological studies are often not reproducible when tested in independent cohorts. Due to the testing of a large number of hypotheses and relatively small sample sizes, results from whole-genome expression studies in particular are often not reproducible. Compared to single-study analysis, ge...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkw797

    authors: Sweeney TE,Haynes WA,Vallania F,Ioannidis JP,Khatri P

    更新日期:2017-01-09 00:00:00

  • High resolution deletion breakpoint mapping in the DMD gene by whole cosmid hybridization.

    abstract::The locus DXS269 (P20) defines a deletion hotspot in the distal part of the Duchenne Muscular Dystrophy gene. We have cloned over 90 kilobase-pairs of genomic DNA from this region in overlapping cosmids. The use of whole cosmids as probes in a competitive DNA hybridization analysis proves a fast and convenient method ...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/17.14.5611

    authors: Blonden LA,den Dunnen JT,van Paassen HM,Wapenaar MC,Grootscholten PM,Ginjaar HB,Bakker E,Pearson PL,van Ommen GJ

    更新日期:1989-07-25 00:00:00

  • Synthesis and characterization of a ribavirin-3',5'-phosphate pentadecamer homoribopolymer bearing a 5'-amino tether group and a 3'-thymidine.

    abstract::The synthesis of a pentadecamer of the 5'-phosphate of the antiviral nucleoside ribavirin (1'-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboxamide) has been achieved. This homoribopolymer is terminated at the 5'-position with an (6-aminohexyl)phosphate group to permit conjugation to a carrier and at the 3'-position by...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/18.5.1099

    authors: Dawson MI,Jina AN,Torkelson S,Rhee S,Moore M,Zarling DA,Hobbs PD

    更新日期:1990-03-11 00:00:00

  • BLAST2SRS, a web server for flexible retrieval of related protein sequences in the SWISS-PROT and SPTrEMBL databases.

    abstract::SRS (Sequence Retrieval System) is a widely used keyword search engine for querying biological databases. BLAST2 is the most widely used tool to query databases by sequence similarity search. These tools allow users to retrieve sequences by shared keyword or by shared similarity, with many public web servers available...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkg535

    authors: Bimpikis K,Budd A,Linding R,Gibson TJ

    更新日期:2003-07-01 00:00:00

  • Intronically encoded siRNAs improve dynamic range of mammalian gene regulation systems and toggle switch.

    abstract::Applications of conditional gene expression, whether for therapeutic or basic research purposes, are increasingly requiring mammalian gene control systems that exhibit far tighter control properties. While numerous approaches have been used to improve the widely used Tet-regulatory system, many applications, particula...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkn443

    authors: Greber D,El-Baba MD,Fussenegger M

    更新日期:2008-09-01 00:00:00

  • PAH Mutation Analysis Consortium Database: 1997. Prototype for relational locus-specific mutation databases.

    abstract::PAHdb (http://www.mcgill.ca/pahdb ) is a curated relational database (Fig. 1) of nucleotide variation in the human PAH cDNA (GenBank U49897). Among 328 different mutations by state (Fig. 2) the majority are rare mutations causing hyperphenylalaninemia (HPA) (OMIM 261600), the remainder are polymorphic variants without...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/26.1.220

    authors: Nowacki PM,Byck S,Prevost L,Scriver CR

    更新日期:1998-01-01 00:00:00

  • Identification of two proteins that bind to a pyrimidine-rich sequence in the 3'-untranslated region of GAP-43 mRNA.

    abstract::GAP-43 is a membrane phosphoprotein that is important for the development and plasticity of neural connections. In undifferentiated PC12 pheochromocytoma cells, GAP-43 mRNA degrades rapidly ( t = 5 h), but becomes stable when cells are treated with nerve growth factor. To identify trans- acting factors that may influe...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/25.6.1281

    authors: Irwin N,Baekelandt V,Goritchenko L,Benowitz LI

    更新日期:1997-03-15 00:00:00

  • Enhancement of the cleavage rates of DNA-armed hammerhead ribozymes by various divalent metal ions.

    abstract::In order to characterize structure-function relationships, the kinetic behavior of chimeric RNA/DNA ribozyme was compared with that of all RNA ribozyme. Determined kcat values were proven to represent the chemical-cleavage step and not the product-dissociation step. In agreement with the finding by Dahm and Uhlenbeck ...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/21.24.5656

    authors: Sawata S,Shimayama T,Komiyama M,Kumar PK,Nishikawa S,Taira K

    更新日期:1993-12-11 00:00:00

  • DNA nicking by HinP1I endonuclease: bending, base flipping and minor groove expansion.

    abstract::HinP1I recognizes and cleaves the palindromic tetranucleotide sequence G downward arrowCGC in DNA. We report three structures of HinP1I-DNA complexes: in the presence of Ca(2+) (pre-reactive complex), in the absence of metal ion (binary complex) and in the presence of Mg(2+) (post-reactive complex). HinP1I forms a bac...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkj484

    authors: Horton JR,Zhang X,Maunus R,Yang Z,Wilson GG,Roberts RJ,Cheng X

    更新日期:2006-02-09 00:00:00

  • Modeling tissue-specific structural patterns in human and mouse promoters.

    abstract::Sets of genes expressed in the same tissue are believed to be under the regulation of a similar set of transcription factors, and can thus be assumed to contain similar structural patterns in their regulatory regions. Here we present a study of the structural patterns in promoters of genes expressed specifically in 26...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkp866

    authors: Vandenbon A,Nakai K

    更新日期:2010-01-01 00:00:00

  • Differential gene expression during the amoebal-plasmodial transition in Physarum.

    abstract::We have prepared cDNA libraries for amoebae and plasmodia of the acellular slime mould, Physarum polycephalum. Differential screening was used to isolate cell-type-specific cDNA clones (in bacteriophage M13) and both libraries yielded approximately 5% of such sequences. The amoebal- and plasmodial-specific clones were...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/15.3.933

    authors: Sweeney GE,Watts DI,Turnock G

    更新日期:1987-02-11 00:00:00

  • Energy-structure correlations of plasmid DNA in different topological forms.

    abstract::Differential scanning microcalorimetry (DSC), UV absorption and circular dichroism (CD) have been used to study structure and stability of linear (lin), open circular (oc), supercoiled (cd) and relaxed circular duplex (rd) DNA and calf thymus (CT) DNA. Investigations were made in low salt buffer and in the presence of...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/16.24.11737

    authors: Thumm W,Seidl A,Hinz HJ

    更新日期:1988-12-23 00:00:00

  • Targeted delivery of antisense oligonucleotides to hepatocytes using triantennary N-acetyl galactosamine improves potency 10-fold in mice.

    abstract::Triantennary N-acetyl galactosamine (GalNAc, GN3: ), a high-affinity ligand for the hepatocyte-specific asialoglycoprotein receptor (ASGPR), enhances the potency of second-generation gapmer antisense oligonucleotides (ASOs) 6-10-fold in mouse liver. When combined with next-generation ASO designs comprised of short S-c...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gku531

    authors: Prakash TP,Graham MJ,Yu J,Carty R,Low A,Chappell A,Schmidt K,Zhao C,Aghajan M,Murray HF,Riney S,Booten SL,Murray SF,Gaus H,Crosby J,Lima WF,Guo S,Monia BP,Swayze EE,Seth PP

    更新日期:2014-07-01 00:00:00

  • Participation of X47-fluorescamine modified E. coli tRNAs in in vitro protein biosynthesis.

    abstract::The reaction of fluorescamine with primary amino groups of tRNAs was investigated. The reagent was attached under mild conditions to the 3'-end of tRNAPhe-C-C-A(3'NH) from yeast and to the minor nucleoside x in E. coli tRNAArg, tRNALys, tRNAMet, tRNAIle and tRNAPhe. The primary aliphatic amino groups of these tRNAs re...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/5.12.4837

    authors: Sprinzl M,Faulhammer HG

    更新日期:1978-12-01 00:00:00

  • Genome maintenance in Saccharomyces cerevisiae: the role of SUMO and SUMO-targeted ubiquitin ligases.

    abstract::The genome of the cell is often exposed to DNA damaging agents and therefore requires an intricate well-regulated DNA damage response (DDR) to overcome its deleterious effects. The DDR needs proper regulation for its timely activation, repression, as well as appropriate choice of repair pathway. Studies in Saccharomyc...

    journal_title:Nucleic acids research

    pub_type: 杂志文章,评审

    doi:10.1093/nar/gkw1369

    authors: Jalal D,Chalissery J,Hassan AH

    更新日期:2017-03-17 00:00:00

  • Ribosomal protein L35 is required for 27SB pre-rRNA processing in Saccharomyces cerevisiae.

    abstract::Ribosome synthesis involves the concomitance of pre-rRNA processing and ribosomal protein assembly. In eukaryotes, this is a complex process that requires the participation of specific sequences and structures within the pre-rRNAs, at least 200 trans-acting factors and the ribosomal proteins. There is little informati...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkq260

    authors: Babiano R,de la Cruz J

    更新日期:2010-08-01 00:00:00

  • GeneNet in 2005.

    abstract::The GeneNet system is designed for collection and analysis of the data on gene and metabolic networks, signal transduction pathways and kinetic characteristics of elementary processes. In the past 2 years, the GeneNet structure was considerably improved: (i) the current version of the database is now implemented using...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gki077

    authors: Ananko EA,Podkolodny NL,Stepanenko IL,Podkolodnaya OA,Rasskazov DA,Miginsky DS,Likhoshvai VA,Ratushny AV,Podkolodnaya NN,Kolchanov NA

    更新日期:2005-01-01 00:00:00

  • Sequences preceding the minimal promoter of the Xenopus somatic 5S RNA gene increase binding efficiency for transcription factors.

    abstract::Sequences preceding the minimal promoter play a role in the differential expression of the Xenopus somatic and oocyte-type 5S RNA genes. In this report, the somatic sequences between -32 and +37 are shown to increase transcriptional activity in microinjected embryos, yet have little to no effect in microinjected oocyt...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:

    authors: Reynolds WF

    更新日期:1989-11-25 00:00:00

  • DBD: a transcription factor prediction database.

    abstract::Regulation of gene expression influences almost all biological processes in an organism; sequence-specific DNA-binding transcription factors are critical to this control. For most genomes, the repertoire of transcription factors is only partially known. Hitherto transcription factor identification has been largely bas...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkj131

    authors: Kummerfeld SK,Teichmann SA

    更新日期:2006-01-01 00:00:00

  • RNA Framework: an all-in-one toolkit for the analysis of RNA structures and post-transcriptional modifications.

    abstract::RNA is emerging as a key regulator of a plethora of biological processes. While its study has remained elusive for decades, the recent advent of high-throughput sequencing technologies provided the unique opportunity to develop novel techniques for the study of RNA structure and post-transcriptional modifications. Non...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gky486

    authors: Incarnato D,Morandi E,Simon LM,Oliviero S

    更新日期:2018-09-19 00:00:00

  • Circular dichroism studies of an oligodeoxyribonucleotide containing a hairpin loop made of a hexaethylene glycol chain: conformation and stability.

    abstract::An oligodeoxyribonucleotide, d(GCTCACAAT-X-ATTGTGAGC), where X represents a hexaethylene glycol chain, was studied using circular dichroism spectroscopy. Its conformation and conformational stability were compared to those of compounds where X was replaced by four thymines and to the duplex of same sequence without lo...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/18.21.6353

    authors: Durand M,Chevrie K,Chassignol M,Thuong NT,Maurizot JC

    更新日期:1990-11-11 00:00:00

  • Intramolecular DNA melting between stable helical segments: melting theory and metastable states.

    abstract::Melting of DNA in a segment bounded at both ends by regions of greater stability during electrophoresis in denaturing gradient gels show complex properties, not accommodated with standard melting theory. Compact bands of some DNA molecules become anomalously broadened at the retardation level in a denaturing gradient,...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/23.14.2775

    authors: Abrams ES,Murdaugh SE,Lerman LS

    更新日期:1995-07-25 00:00:00

  • uORFdb--a comprehensive literature database on eukaryotic uORF biology.

    abstract::Approximately half of all human transcripts contain at least one upstream translational initiation site that precedes the main coding sequence (CDS) and gives rise to an upstream open reading frame (uORF). We generated uORFdb, publicly available at http://cbdm.mdc-berlin.de/tools/uorfdb, to serve as a comprehensive li...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkt952

    authors: Wethmar K,Barbosa-Silva A,Andrade-Navarro MA,Leutz A

    更新日期:2014-01-01 00:00:00

  • RNA-binding specificity landscapes of designer pentatricopeptide repeat proteins elucidate principles of PPR-RNA interactions.

    abstract::Pentatricopeptide repeat (PPR) proteins are helical-repeat proteins that offer a promising scaffold for the engineering of proteins to bind specified RNAs. PPR tracts bind RNA in a modular 1-repeat, 1-nucleotide fashion. An amino acid code specifying the bound nucleotide has been elucidated. However, this code does no...

    journal_title:Nucleic acids research

    pub_type: 杂志文章

    doi:10.1093/nar/gkx1288

    authors: Miranda RG,McDermott JJ,Barkan A

    更新日期:2018-03-16 00:00:00