Improved protein structure prediction using predicted interresidue orientations.

Abstract:

:The prediction of interresidue contacts and distances from coevolutionary data using deep learning has considerably advanced protein structure prediction. Here, we build on these advances by developing a deep residual network for predicting interresidue orientations, in addition to distances, and a Rosetta-constrained energy-minimization protocol for rapidly and accurately generating structure models guided by these restraints. In benchmark tests on 13th Community-Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP13)- and Continuous Automated Model Evaluation (CAMEO)-derived sets, the method outperforms all previously described structure-prediction methods. Although trained entirely on native proteins, the network consistently assigns higher probability to de novo-designed proteins, identifying the key fold-determining residues and providing an independent quantitative measure of the "ideality" of a protein structure. The method promises to be useful for a broad range of protein structure prediction and design problems.

authors

Yang J,Anishchenko I,Park H,Peng Z,Ovchinnikov S,Baker D

doi

10.1073/pnas.1914677117

subject

Has Abstract

pub_date

2020-01-21 00:00:00

pages

1496-1503

issue

3

eissn

0027-8424

issn

1091-6490

pii

1914677117

journal_volume

117

pub_type

杂志文章
  • Interaction of the Wiskott-Aldrich syndrome protein with sorting nexin 9 is required for CD28 endocytosis and cosignaling in T cells.

    abstract::The Wiskott-Aldrich syndrome protein (WASp) plays a major role in coupling T cell antigen receptor (TCR) stimulation to induction of actin cytoskeletal changes required for T cell activation. Here, we report that WASp inducibly binds the sorting nexin 9 (SNX9) in T cells and that WASp, SNX9, p85, and CD28 colocalize w...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0610543104

    authors: Badour K,McGavin MK,Zhang J,Freeman S,Vieira C,Filipp D,Julius M,Mills GB,Siminovitch KA

    更新日期:2007-01-30 00:00:00

  • The diploid genome sequence of Candida albicans.

    abstract::We present the diploid genome sequence of the fungal pathogen Candida albicans. Because C. albicans has no known haploid or homozygous form, sequencing was performed as a whole-genome shotgun of the heterozygous diploid genome in strain SC5314, a clinical isolate that is the parent of strains widely used for molecular...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0401648101

    authors: Jones T,Federspiel NA,Chibana H,Dungan J,Kalman S,Magee BB,Newport G,Thorstenson YR,Agabian N,Magee PT,Davis RW,Scherer S

    更新日期:2004-05-11 00:00:00

  • DNA strand breakage, activation of poly (ADP-ribose) synthetase, and cellular energy depletion are involved in the cytotoxicity of macrophages and smooth muscle cells exposed to peroxynitrite.

    abstract::The free radicals nitric oxide and superoxide anion react to form peroxynitrite (ONOO-), a highly toxic oxidant species. In vivo formation of ONOO- has been demonstrated in shock and inflammation. Herein we provide evidence that cytotoxicity in cells exposed to ONOO- is mediated by DNA strand breakage and the subseque...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.93.5.1753

    authors: Szabó C,Zingarelli B,O'Connor M,Salzman AL

    更新日期:1996-03-05 00:00:00

  • Sequential repression and activation of the CCAAT enhancer-binding protein-alpha (C/EBPalpha ) gene during adipogenesis.

    abstract::CCAAT enhancer-binding protein-alpha (C/EBPalpha) functions as a pleiotropic transcriptional activator of adipocyte genes during adipogenesis. Nuclear factor C/EBP undifferentiated protein (CUP), an isoform of activator protein-2alpha (AP-2alpha), binds to repressive elements in the C/EBPalpha gene promoter, silencing...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.220426097

    authors: Jiang MS,Lane MD

    更新日期:2000-11-07 00:00:00

  • Newly generated neurons in the amygdala and adjoining cortex of adult primates.

    abstract::The subventricular zone remains mitotically active throughout life in rodents. Studies with tritiated thymidine, which is incorporated into the DNA of mitotic cells, have revealed that the rodent subventricular zone produces neuroblasts that migrate toward the olfactory bulb along the rostral migratory stream. A simil...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.172403999

    authors: Bernier PJ,Bedard A,Vinet J,Levesque M,Parent A

    更新日期:2002-08-20 00:00:00

  • Prefusion structure of syntaxin-1A suggests pathway for folding into neuronal trans-SNARE complex fusion intermediate.

    abstract::The assembly of the three neuronal soluble N-ethylmaleimide-sensitive factor attachment protein (SNAP) receptor (SNARE) proteins synaptobrevin 2, syntaxin-1A, and SNAP-25 is the key step that leads to exocytotic fusion of synaptic vesicles. In the fully assembled SNARE complex, these three proteins form a coiled-coil ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1314699110

    authors: Liang B,Kiessling V,Tamm LK

    更新日期:2013-11-26 00:00:00

  • Relationship between promoter structure and template specificities exhibited by the bacteriophage T3 and T7 RNA polymerases.

    abstract::To explore the basis for the template specificities of the bacteriophage T3 and T7 RNA polymerases (EC 2.7.7.6), we determined the nucleotide sequences of six promoters recognized by the T3 RNA polymerase and compared them with the previously determined promoter sequences recognized by the bacteriophage T7 RNA polymer...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.80.10.2814

    authors: Bailey JN,Klement JF,McAllister WT

    更新日期:1983-05-01 00:00:00

  • The microRNA-21-PDCD4 axis prevents type 1 diabetes by blocking pancreatic beta cell death.

    abstract::Death of pancreatic β cells is a pathological hallmark of type 1 diabetes (T1D). However, the molecular mechanisms of β cell death and its regulation are poorly understood. Here we describe a unique regulatory pathway of β cell death that comprises microRNA-21, its target tumor suppressor PDCD4, and its upstream trans...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1101450108

    authors: Ruan Q,Wang T,Kameswaran V,Wei Q,Johnson DS,Matschinsky F,Shi W,Chen YH

    更新日期:2011-07-19 00:00:00

  • Differential effects of transforming avian RNA tumor viruses on avian macrophages.

    abstract::Functionally differentiated chicken macrophages were derived by in vitro differentiation of embryonic yolk sac cells and were characterized by several macrophage-specific cell markers. Uniform, infected, virus-producing cultures were obtained after exposure of these macrophages to avian myoblastosis virus (AMV), avian...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.78.6.3600

    authors: Durban EM,Boettiger D

    更新日期:1981-06-01 00:00:00

  • Differences in water release for the binding of EcoRI to specific and nonspecific DNA sequences.

    abstract::The free energy difference between complexes of the restriction nuclease EcoRI with nonspecific DNA and with the enzyme's recognition sequence is linearly dependent on the water chemical potential of the solution, set using several very different solutes, ranging from glycine and glycerol to triethylene glycol and suc...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.93.22.12272

    authors: Sidorova NY,Rau DC

    更新日期:1996-10-29 00:00:00

  • Abrupt tectonics and rapid slab detachment with grain damage.

    abstract::A simple model for necking and detachment of subducting slabs is developed to include the coupling between grain-sensitive rheology and grain-size evolution with damage. Necking is triggered by thickened buoyant crust entrained into a subduction zone, in which case grain damage accelerates necking and allows for relat...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1415473112

    authors: Bercovici D,Schubert G,Ricard Y

    更新日期:2015-02-03 00:00:00

  • A PIIB-type Ca2+-ATPase is essential for stress adaptation in Physcomitrella patens.

    abstract::Transient cytosolic Ca(2+) ([Ca(2+)](cyt)) elevations are early events in plant signaling pathways including those related to abiotic stress. The restoration of [Ca(2+)](cyt) to prestimulus levels involves ATP-driven Ca(2+) pumps, but direct evidence for an essential role of a plant Ca(2+)-ATPase in abiotic stress ada...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0800864105

    authors: Qudeimat E,Faltusz AM,Wheeler G,Lang D,Holtorf H,Brownlee C,Reski R,Frank W

    更新日期:2008-12-09 00:00:00

  • Cofactor-specific photochemical function resolved by ultrafast spectroscopy in photosynthetic reaction center crystals.

    abstract::High-resolution mapping of cofactor-specific photochemistry in photosynthetic reaction centers (RCs) from Rhodobacter sphaeroides was achieved by polarization selective ultrafast spectroscopy in single crystals at cryogenic temperature. By exploiting the fixed orientation of cofactors within crystals, we isolated a si...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1116862109

    authors: Huang L,Ponomarenko N,Wiederrecht GP,Tiede DM

    更新日期:2012-03-27 00:00:00

  • In vivo functional protein-protein interaction: nuclear targeted hsp90 shifts cytoplasmic steroid receptor mutants into the nucleus.

    abstract::In target tissue extracts, heat shock protein hsp90 has been found associated to all unliganded steroid receptors. Modulation of important functions of these receptors, including prevention of DNA binding and optimization of transcriptional activity, has been attributed to hsp90. However no unequivocal in vivo demonst...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.91.1.340

    authors: Kang KI,Devin J,Cadepond F,Jibard N,Guiochon-Mantel A,Baulieu EE,Catelli MG

    更新日期:1994-01-04 00:00:00

  • Efficient screening of retroviral cDNA expression libraries.

    abstract::Expression cloning of cDNAs was first described a decade ago and was based on transient expression of cDNA libraries in COS cells. In contrast to transient transfection of plasmids, retroviral gene transfer delivers genes stably into a wide range of target cells. We utilize a simple packaging system for production of ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.92.20.9146

    authors: Kitamura T,Onishi M,Kinoshita S,Shibuya A,Miyajima A,Nolan GP

    更新日期:1995-09-26 00:00:00

  • A single-stranded DNA binding protein binds the origin of replication of the duplex kinetoplast DNA.

    abstract::Replication of the kinetoplast DNA (kDNA) minicircle of trypanosomatids initiates at a conserved 12-nt sequence, 5'-GGGGTTGGTGTA-3', termed the universal minicircle sequence (UMS). A sequence-specific single-stranded DNA-binding protein from Crithidia fasciculata binds the heavy strand of the 12-mer UMS. Whereas this ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.92.23.10511

    authors: Avrahami D,Tzfati Y,Shlomai J

    更新日期:1995-11-07 00:00:00

  • Analysis of barotactic and chemotactic guidance cues on directional decision-making of Dictyostelium discoideum cells in confined environments.

    abstract::Neutrophils and dendritic cells when migrating in confined environments have been shown to actuate a directional choice toward paths of least hydraulic resistance (barotaxis), in some cases overriding chemotactic responses. Here, we investigate whether this barotactic response is conserved in the more primitive model ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.2000686117

    authors: Belotti Y,McGloin D,Weijer CJ

    更新日期:2020-10-13 00:00:00

  • Nuclear binding of steroid receptors: comparison in intact cells and cell-free systems.

    abstract::In regulating gene expression in mammalian tissues, steroid hormones bind to cytoplasmic receptors and the resulting complex associates with the nucleus. In an attempt to study this nuclear association under more precisely controlled conditions, we examined the binding of receptor-[(3)H]steroid complexes to isolated n...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.70.12.3415

    authors: Higgins SJ,Rousseau GG,Baxter JD,Tomkins GM

    更新日期:1973-12-01 00:00:00

  • Establishment of trophoblast stem cell lines from somatic cell nuclear-transferred embryos.

    abstract::Placental abnormalities occur frequently in cloned animals. Here, we attempted to isolate trophoblast stem (TS) cells from mouse blastocysts produced by somatic cell nuclear transfer (NT) at the blastocyst stage (NT blastocysts). Despite the predicted deficiency of the trophoblast cell lineage, we succeeded in isolati...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0908009106

    authors: Oda M,Tanaka S,Yamazaki Y,Ohta H,Iwatani M,Suzuki M,Ohgane J,Hattori N,Yanagimachi R,Wakayama T,Shiota K

    更新日期:2009-09-22 00:00:00

  • Reconstructing evolutionary trees from DNA and protein sequences: paralinear distances.

    abstract::The reconstruction of phylogenetic trees from DNA and protein sequences is confounded by unequal rate effects. These effects can group rapidly evolving taxa with other rapidly evolving taxa, whether or not they are genealogically related. All algorithms are sensitive to these effects whenever the assumptions on which ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.91.4.1455

    authors: Lake JA

    更新日期:1994-02-15 00:00:00

  • Cytomegalovirus-encoded beta chemokine promotes monocyte-associated viremia in the host.

    abstract::Chemokine homologs are encoded by many large DNA viruses, suggesting that they contribute to control of host leukocyte transmigration and trafficking during viral infection. Murine cytomegalovirus carries a CC (beta) chemokine homolog gene giving rise to two related proteins, murine cytomegalovirus chemokine 1 and 2 (...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.96.19.10881

    authors: Saederup N,Lin YC,Dairaghi DJ,Schall TJ,Mocarski ES

    更新日期:1999-09-14 00:00:00

  • Sensory domain contraction in histidine kinase CitA triggers transmembrane signaling in the membrane-bound sensor.

    abstract::Bacteria use membrane-integral sensor histidine kinases (HK) to perceive stimuli and transduce signals from the environment to the cytosol. Information on how the signal is transmitted across the membrane by HKs is still scarce. Combining both liquid- and solid-state NMR, we demonstrate that structural rearrangements ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1620286114

    authors: Salvi M,Schomburg B,Giller K,Graf S,Unden G,Becker S,Lange A,Griesinger C

    更新日期:2017-03-21 00:00:00

  • Spreading of differentiating human monocytes is associated with a major increase in membrane-bound CDC42.

    abstract::In a search for a model cell system that might allow studies of the function of the Rho-related GTPase CDC42Hs in human cells, we measured the content and distribution of CDC42Hs in monocytes that were differentiating into macrophages. The total content of this protein increased 5- to 6-fold in phorbol ester-treated h...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.91.10.4263

    authors: Aepfelbacher M,Vauti F,Weber PC,Glomset JA

    更新日期:1994-05-10 00:00:00

  • Activation of the hippocampus in normal humans: a functional anatomical study of memory.

    abstract::We studied regional cerebral blood flow using the H2(15)O method while normal subjects performed four similar tasks involving three-letter word beginnings (stems). Prior to each task, subjects studied a list of words. Local blood flow was then monitored during a 40-sec period while subjects (i) silently viewed word st...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.89.5.1837

    authors: Squire LR,Ojemann JG,Miezin FM,Petersen SE,Videen TO,Raichle ME

    更新日期:1992-03-01 00:00:00

  • GTF2IRD2 is located in the Williams-Beuren syndrome critical region 7q11.23 and encodes a protein with two TFII-I-like helix-loop-helix repeats.

    abstract::Williams-Beuren syndrome (also known as Williams syndrome) is caused by a deletion of a 1.55- to 1.84-megabase region from chromosome band 7q11.23. GTF2IRD1 and GTF2I, located within this critical region, encode proteins of the TFII-I family with multiple helix-loop-helix domains known as I repeats. In the present wor...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0404150101

    authors: Makeyev AV,Erdenechimeg L,Mungunsukh O,Roth JJ,Enkhmandakh B,Ruddle FH,Bayarsaihan D

    更新日期:2004-07-27 00:00:00

  • Cytosolic rat brain synapsin I is a diacylglycerol kinase.

    abstract::The phosphorylation of diacylglycerol (DG), a reaction catalyzed by DG kinase, may be critical in the termination of effector-induced signals mediated by protein kinase C. Synapsin I is a principal target of intracellular protein kinases and is thought to be involved in the release of neurotransmitter from axon termin...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.88.14.6137

    authors: Kahn DW,Besterman JM

    更新日期:1991-07-15 00:00:00

  • Dietary branched chain amino acids ameliorate injury-induced cognitive impairment.

    abstract::Neurological dysfunction caused by traumatic brain injury results in profound changes in net synaptic efficacy, leading to impaired cognition. Because excitability is directly controlled by the balance of excitatory and inhibitory activity, underlying mechanisms causing these changes were investigated using lateral fl...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.0910280107

    authors: Cole JT,Mitala CM,Kundu S,Verma A,Elkind JA,Nissim I,Cohen AS

    更新日期:2010-01-05 00:00:00

  • Progressive hearing loss and gradual deterioration of sensory hair bundles in the ears of mice lacking the actin-binding protein Eps8L2.

    abstract::Mechanotransduction in the mammalian auditory system depends on mechanosensitive channels in the hair bundles that project from the apical surface of the sensory hair cells. Individual stereocilia within each bundle contain a core of tightly packed actin filaments, whose length is dynamically regulated during developm...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.1304644110

    authors: Furness DN,Johnson SL,Manor U,Rüttiger L,Tocchetti A,Offenhauser N,Olt J,Goodyear RJ,Vijayakumar S,Dai Y,Hackney CM,Franz C,Di Fiore PP,Masetto S,Jones SM,Knipper M,Holley MC,Richardson GP,Kachar B,Marcotti W

    更新日期:2013-08-20 00:00:00

  • A pathway for the biosynthesis of straight and branched, odd- and even-length, medium-chain fatty acids in plants.

    abstract::Pathways and enzymes of fatty acid synthase-mediated, long-even-chain (generally C16-C20) fatty acid synthesis are well studied, and general metabolism involved in short-chain (C4-C7) fatty acid biosynthesis is also understood. In contrast, mechanisms of medium-chain (C8-C14) fatty acid synthesis are unclear. Recent w...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 杂志文章

    doi:10.1073/pnas.91.24.11437

    authors: Kroumova AB,Xie Z,Wagner GJ

    更新日期:1994-11-22 00:00:00

  • Continuous 1.3-million-year record of East African hydroclimate, and implications for patterns of evolution and biodiversity.

    abstract::The transport of moisture in the tropics is a critical process for the global energy budget and on geologic timescales, has markedly influenced continental landscapes, migratory pathways, and biological evolution. Here we present a continuous, first-of-its-kind 1.3-My record of continental hydroclimate and lake-level ...

    journal_title:Proceedings of the National Academy of Sciences of the United States of America

    pub_type: 历史文章,杂志文章

    doi:10.1073/pnas.1512864112

    authors: Lyons RP,Scholz CA,Cohen AS,King JW,Brown ET,Ivory SJ,Johnson TC,Deino AL,Reinthal PN,McGlue MM,Blome MW

    更新日期:2015-12-22 00:00:00