X-ray crystallography articles within Nature Communications

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  • Article
    | Open Access

    The androgen receptor is crucial for the development and physiology of reproductive organs. Here the authors present the structure of the androgen receptor ligand-binding domain bound to dihydrotestosterone, identifying a homodimerization interface that is crucial for receptor activityin vivo.

    • Marta Nadal
    • , Stefan Prekovic
    •  & Eva Estébanez-Perpiñá
  • Article
    | Open Access

    Programmed cell death 1 (PD-1) is a key target for cancer immunotherapy. Here the authors present the crystal structure of the extracellular PD-1 domain with the clinically approved monoclonal antibody nivolumab, which shows that the N-terminal PD-1 loop is crucial for antibody binding.

    • Shuguang Tan
    • , Hao Zhang
    •  & Jinghua Yan
  • Article
    | Open Access

    Tailed bacteriophages assemble empty precursor capsids known as procapsids that are subsequently filled with viral DNA by a genome-packaging motor. Here the authors present a structure-based analysis that suggests the signal for termination of genome packaging is achieved through a DNA-dependent symmetrization of portal protein.

    • Ravi K. Lokareddy
    • , Rajeshwer S. Sankhala
    •  & Gino Cingolani
  • Article
    | Open Access

    The host super elongation complex (SEC) is hijacked by HIV-1 for viral transcription. Here the authors present the structure of RNA polymerase elongation factor ELL2 bound to the intrinsically disordered scaffold protein AFF4, identifying an ELL2 surface important for HIV-1 transcription.

    • Shiqian Qi
    • , Zichong Li
    •  & James H. Hurley
  • Article
    | Open Access

    Membrane fusion during exocytosis is mediated by interaction between SNARE proteins on vesicles and the cell membrane, but how SNARE complex assembly is initiated remains unknown. Here, the authors show that interaction of Sec3 with Sso2 on the plasma membrane promotes formation of an Sso2–Sec9 complex, an early step in SNARE assembly, likely by inhibiting Sso2 auto-inhibition.

    • Peng Yue
    • , Yubo Zhang
    •  & Wei Guo
  • Article
    | Open Access

    Farnesyl pyrophosphate (FPP) is a key building block for the synthesis of many lipids. Here the authors determine the crystal structure of farnesyl pyrophosphate synthase (FPPS) with its bound product and use kinetic measurements to show that FPP is an allosteric effector of the enzyme.

    • Jaeok Park
    • , Michal Zielinski
    •  & Albert M. Berghuis
  • Article
    | Open Access

    Although not photosynthetic, some archaea possess RuBisCO, one of the enzymes characteristic of the photosynthetic Calvin-Benson cycle, but apparently lack another one, phosphoribulokinase (PRK). Here the authors describe a carbon metabolic pathway in methanogenic archaea, involving RuBisCO and PRK.

    • Takunari Kono
    • , Sandhya Mehrotra
    •  & Hiroki Ashida
  • Article
    | Open Access

    The cohesin complex maintains genome integrity by ensuring correct sister-chromatid segregation during mitosis and meiosis. Here, Chaoet al. present a pseudo-atomic model of the full-length Scc2–Scc4 cohesin loader complex and reveal key Scc2 surfaces crucial for cohesin loading.

    • William C. H. Chao
    • , Yasuto Murayama
    •  & Martin R. Singleton
  • Article
    | Open Access

    The Mon1-Ccz1 (MC1) complex is a Rab guanine nucleotide exchange factor (RabGEF) for Ypt7/Rab7 important for endosomal maturation. Here the authors present the biochemical and structural characterization of MC1, elucidating its catalytic mechanism and showing that MC1 represents novel class of RabGEFs.

    • Stephan Kiontke
    • , Lars Langemeyer
    •  & Daniel Kümmel
  • Article
    | Open Access

    The AcrB module of the AcrAB-TolC multidrug efflux pump sequesters drugs from the periplasm and outer leaflet of the inner membrane. Here, Oswaldet al. provide evidence that lipophilic carboxylated substrates bind to a groove between transmembrane helices TM1 and TM2, for further transport by an upward movement of TM2.

    • Christine Oswald
    • , Heng-Keat Tam
    •  & Klaas M. Pos
  • Article
    | Open Access

    Myelin-associated glycoprotein (MAG) maintains myelin-axon spacing. Here, the authors report the crystal structures of the MAG full ectodomain in complex with oligosaccharide, and use additional assays to provide insights into the mechanism of MAG-mediated signalling.

    • Matti F. Pronker
    • , Suzanne Lemstra
    •  & Bert J. C. Janssen
  • Article
    | Open Access

    In some parasites, membrane-bound pyrophosphatases, which couple proton and sodium ion transport across the membrane, are important for infectivity. Here, the authors report crystal structures of these proteins alongside biophysical analyses that allow them to propose a model for how the coupling is achieved.

    • Kun-Mou Li
    • , Craig Wilkinson
    •  & Adrian Goldman
  • Article
    | Open Access

    Treatment of influenza A viruses with broadly neutralizing monoclonal antibodies is an area of active research. Here, the authors characterise a human monoclonal antibody called 3E1 that was reactive against both H1 and H5 viruses in vitroand demonstrated some treatment efficacy in mice.

    • Wenshuai Wang
    • , Xiaoyu Sun
    •  & Bing Sun
  • Article
    | Open Access

    RBM7 and ZCCHC8 are two core subunits of the Nuclear Exosome Targeting complex, which regulates the degradation of selected non-coding RNAs in human cells. Here, the authors use structural and biochemical methods to show how ZCCHC8 recruits RBM7 in the complex, leaving the RNA binding site accessible and revealing possible implications for splicing.

    • Sebastian Falk
    • , Ksenia Finogenova
    •  & Elena Conti
  • Article
    | Open Access

    The nature of the ferryl intermediate generated in reactions catalysed by heme-containing enzymes is uncertain, due to the ambiguity of X-ray crystallography data. Here, the authors apply neutron diffraction, kinetics and other spectroscopy to directly observe a protonated ferryl intermediate in a heme peroxidase.

    • Hanna Kwon
    • , Jaswir Basran
    •  & Emma L. Raven
  • Article
    | Open Access

    Tip-link filaments convey force to activate hair cells, important sensory receptors. Here the authors solve a partial structure of human protocadherin-15, a tip-link component with an unusual Ca2+–free linker that bends and is predicted to confer flexibility to this filament during inner-ear mechanotransduction.

    • Raul Araya-Secchi
    • , Brandon L. Neel
    •  & Marcos Sotomayor
  • Article
    | Open Access

    The proteases of flaviviruses are promising targets for development of specific antiviral drugs. Here, the authors report a high resolution crystal structure of the NS2B-NS3 protease of Zika virus that provides insight into substrate and inhibitor binding.

    • Wint Wint Phoo
    • , Yan Li
    •  & Dahai Luo
  • Article
    | Open Access

    KDM4 histone demethylases target specific chromatin regions by a mechanism that is not fully characterised. Here, the authors identify trimethyl-lysine histone-binding preferences for closely related KDM4 double tudor domains and use structural and biochemical information to examine the molecular details of this interaction.

    • Zhangli Su
    • , Fengbin Wang
    •  & John M. Denu
  • Article
    | Open Access

    In neurons and glia, glutamate transporters catalyse the reuptake of this neurotransmitter by coupling it with cation transport. Here the authors combine X-ray crystallography and molecular dynamics simulations of the archeal glutamate transporter GltTkto get insight into the coupled transport mechanism.

    • Albert Guskov
    • , Sonja Jensen
    •  & Dirk Jan Slotboom
  • Article
    | Open Access

    Pathogenic bacteria acquire iron from heme cofactors imported by ABC heme transporters. Here the authors present crystal structures of Burkholderia cenocepaciaheme importer BhuUV with and without the heme-binding protein BhuT, gathering mechanistic insight into the catalytic cycle of heme import.

    • Youichi Naoe
    • , Nozomi Nakamura
    •  & Hiroshi Sugimoto
  • Article
    | Open Access

    Retromer is recruited to endosomes by the small GTPase Rab7 and sorting nexin 3. Here, the authors report the interaction between a GTPase-activating protein TBC1d5 and Rab7, examine the biochemical details of the interaction with retromer, and discuss the implications for receptor trafficking.

    • Da Jia
    • , Jin-San Zhang
    •  & Michael K. Rosen
  • Article
    | Open Access

    Many bacteria use TonB-dependent outer membrane receptors to scavenge iron from their host during infection. Here, the authors report on the structure and function of FusA, which is a bacterial receptor that is used to obtain iron from plants.

    • Rhys Grinter
    • , Inokentijs Josts
    •  & Daniel Walker
  • Article
    | Open Access

    Germline-encoded mycolyl lipid-reactive (GEM) T cells recognize CD1b proteins presenting mycobacterial mycolates via their T-cell receptors (TCRs). Here, the authors present the structure of this interaction and provide a molecular basis for the co-recognition of CD1b and a mycobacterial glycolipid.

    • Stephanie Gras
    • , Ildiko Van Rhijn
    •  & Jamie Rossjohn
  • Article
    | Open Access

    Genetic alterations in the protein acid sphingomyelinase (ASM) lead to ASM deficiency and have been associated with Niemann–Pick disease. Here, the authors report the crystal structures of ASM alone and bound to its product, and discuss the catalytic mechanism and its possible significance for patients with ASM deficiency.

    • Yan-Feng Zhou
    • , Matthew C. Metcalf
    •  & Ronnie R. Wei
  • Article
    | Open Access

    Pyruvate carboxylases are homotetrameric enzymes in eukaryotes and most bacteria. Here, the authors report the structure of an unusual two-subunit form of the enzyme from the Gram-negative bacterium Methylobacillus flagellates, revealing an unexpected α2β4stoichiometry.

    • Philip H. Choi
    • , Jeanyoung Jo
    •  & Liang Tong
  • Article
    | Open Access

    Specialized translation elongation factors (eEFSec and SelB) promote selenocysteine incorporation into proteins. Here, the authors report the structure of human eEFSec, examine its interactions with guanine nucleotides, and propose a non-canonical mechanism for decoding selenocysteine.

    • Malgorzata Dobosz-Bartoszek
    • , Mark H. Pinkerton
    •  & Miljan Simonović
  • Article
    | Open Access

    Tetrameric cationic channels specificity is determined by the sequence and structural conformation of their selectivity filter. Here, the authors show that a cationic channel from Tsukamurella paurometabola is non-selective due to a Ca2+-binding motif within its unusual proline-rich filter.

    • Balasundaresan Dhakshnamoorthy
    • , Ahmed Rohaim
    •  & Benoît Roux
  • Article
    | Open Access

    Targeting of the CD36 scavenger receptor by the malaria parasite effector PfEMP1 prevents splenic clearance of infected erythrocytes. Here, the authors propose that diverse PfEMP1 achieve this by binding to a conserved phenylalanine residue in CD36 that is also required for lipoprotein binding.

    • Fu-Lien Hsieh
    • , Louise Turner
    •  & Matthew K. Higgins
  • Article
    | Open Access

    The Epstein-Barr virus tegument protein BNRF1 is required for the establishment of selective viral gene expression during latency and interacts with the histone chaperone DAXX. Here the authors provide structural insight into how BNRF1 hijacks the DAXX-histone H3.3-H4 complex.

    • Hongda Huang
    • , Zhong Deng
    •  & Dinshaw J. Patel
  • Article
    | Open Access

    Screens for bactericidal compounds have resulted in promising anti-tubercular hits. Here, the authors analyse in detail the target of an indazole sulfonamide (GSK3011724A), and find that it has a different mode of inhibition compared to other Kas inhibitors of fatty acid biosynthesis in bacteria.

    • Katherine A. Abrahams
    • , Chun-wa Chung
    •  & Robert H. Bates
  • Article
    | Open Access

    Myosin X is a molecular motor unique in its ability to generate filopodia, but the mechanism explaining this behaviour is not known. Here, through a combination of structure, single-molecule assays and modelling the authors show that myosin X is optimized for transport along actin bundles.

    • Virginie Ropars
    • , Zhaohui Yang
    •  & Anne Houdusse
  • Article
    | Open Access

    Cyclic-di-GMP is a bacterial second messenger that binds to the regulatory domain of ATPases of some bacteria. Here, the authors report the crystal structure of this interaction, identify a cyclic-di-GMP binding mode, and show that this interaction might be important for bacterial biofilm formation.

    • Yu-Chuan Wang
    • , Ko-Hsin Chin
    •  & Shan-Ho Chou
  • Article
    | Open Access

    Regulators of the important ubiquitylation cascade are not well studied. Here, the authors report the crystal structure of a prenylated membrane-anchored ubiquitin-fold protein from Arabidopsisbound to an E2 protein and conclude that it is an example of selective activation between E2 enzymes.

    • Xiaolong Lu
    • , Konstantin R. Malley
    •  & Brian P. Downes