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14,104 items found (0 items not approved), displaying 71 to 80.[First/Prev] 4, 5, 6, 7, 8, 9, 10, 11 [Next/Last]

Instruments / Technical Area	Publication Details	Published
Krios I-Titan Krios I at Diamond	Mechanism of receptor assembly via the pleiotropic adipokine Leptin Alexandra Tsirigotaki , Ann Dansercoer , Koen H. G. Verschueren , Iva Marković , Christoph Pollmann , Maximillian Hafer , Jan Felix , Catherine Birck , Wouter Van Putte , Dominiek Catteeuw , Jan Tavernier , J. Fernando Bazan , Jacob Piehler , Savvas N. Savvides , Kenneth Verstraete Nature Structural & Molecular Biology 387 DOI: 10.1038/s41594-023-00941-9 Show Abstract ▼ Abstract: The adipokine Leptin activates its receptor LEP-R in the hypothalamus to regulate body weight and exerts additional pleiotropic functions in immunity, fertility and cancer. However, the structure and mechanism of Leptin-mediated LEP-R assemblies has remained unclear. Intriguingly, the signaling-competent isoform of LEP-R is only lowly abundant amid several inactive short LEP-R isoforms contributing to a mechanistic conundrum. Here we show by X-ray crystallography and cryo-EM that, in contrast to long-standing paradigms, Leptin induces type I cytokine receptor assemblies featuring 3:3 stoichiometry and demonstrate such Leptin-induced trimerization of LEP-R on living cells via single-molecule microscopy. In mediating these assemblies, Leptin undergoes drastic restructuring that activates its site III for binding to the Ig domain of an adjacent LEP-R. These interactions are abolished by mutations linked to obesity. Collectively, our study provides the structural and mechanistic framework for how evolutionarily conserved Leptin:LEP-R assemblies with 3:3 stoichiometry can engage distinct LEP-R isoforms to achieve signaling.	Mar 2023
I24-Microfocus Macromolecular Crystallography	Structural insights into the human niacin receptor HCA2-Gi signalling complex Yang Yang , Hye Jin Kang , Ruogu Gao , Jingjing Wang , Gye Won Han , Jeffrey F. Diberto , Lijie Wu , Jiahui Tong , Lu Qu , Yiran Wu , Ryan Pileski , Xuemei Li , Xuejun Cai Zhang , Suwen Zhao , Terry Kenakin , Quan Wang , Raymond C. Stevens , Wei Peng , Bryan L. Roth , Zihe Rao , Zhi-Jie Liu Nature Communications 14 DOI: 10.1038/s41467-023-37177-6 Open Access Show Abstract ▼ Abstract: The hydroxycarboxylic acid receptor 2 (HCA2) agonist niacin has been used as treatment for dyslipidemia for several decades albeit with skin flushing as a common side-effect in treated individuals. Extensive efforts have been made to identify HCA2 targeting lipid lowering agents with fewer adverse effects, despite little being known about the molecular basis of HCA2 mediated signalling. Here, we report the cryo-electron microscopy structure of the HCA2-Gi signalling complex with the potent agonist MK-6892, along with crystal structures of HCA2 in inactive state. These structures, together with comprehensive pharmacological analysis, reveal the ligand binding mode and activation and signalling mechanisms of HCA2. This study elucidates the structural determinants essential for HCA2 mediated signalling and provides insights into ligand discovery for HCA2 and related receptors.	Mar 2023
I11-High Resolution Powder Diffraction	Improving barocaloric properties by tailoring transition hysteresis in Mn3Cu1−xSnxN antiperovskites Frederic Rendell-Bhatti , Ming Zeng , Pol Lloveras , Josep Lluis Tamarit , María Del Barrio , Eamonn Connolly , Donald A. Maclaren , Freya Johnson , Lesley F. Cohen , David Boldrin Journal Of Physics: Energy DOI: 10.1088/2515-7655/acc6f0 Open Access Show Abstract ▼ Abstract: The magnetically frustrated manganese nitride antiperovskite family displays significant changes of entropy under changes in hydrostatic pressure near a first-order antiferromagnetic to paramagnetic phase transition that can be useful for the emerging field of solid-state barocaloric cooling. In previous studies, the transition hysteresis has significantly reduced the reversible barocaloric effects. Here we show that the transition hysteresis can be tailored through quaternary alloying in the Mn3 Cu1−x Snx N system. We find the magnitude of hysteresis is minimised when Cu and Sn are equiatomic (x = 0.5) reaching values far less than previously found for Mn3AN (A = Pd, Ni, Ga, Zn), whilst retaining entropy changes of the same order of magnitude. These results demonstrate that reversible barocaloric effects are achievable for p < 100MPa in the Mn3(A,B)N family and suggest routes to modify the transition properties in compounds of the same family.	Mar 2023
Krios I-Titan Krios I at Diamond	An in-solution snapshot of SARS-COV-2 main protease maturation process and inhibition Gabriela Dias Noske , Yun Song , Rafaela Sachetto Fernandes , Rod Chalk , Haitem Elmassoudi , Lizbe Koekemoer , C. David Owen , Tarick J. El-Baba , Carol V. Robinson , Glaucius Oliva , Andre Schutzer Godoy Nature Communications 14 DOI: 10.1038/s41467-023-37035-5 Diamond Proposal Number(s): [27083, 29349] Open Access Show Abstract ▼ Abstract: The main protease from SARS-CoV-2 (Mpro) is responsible for cleavage of the viral polyprotein. Mpro self-processing is called maturation, and it is crucial for enzyme dimerization and activity. Here we use C145S Mpro to study the structure and dynamics of N-terminal cleavage in solution. Native mass spectroscopy analysis shows that mixed oligomeric states are composed of cleaved and uncleaved particles, indicating that N-terminal processing is not critical for dimerization. A 3.5 Å cryo-EM structure provides details of Mpro N-terminal cleavage outside the constrains of crystal environment. We show that different classes of inhibitors shift the balance between oligomeric states. While non-covalent inhibitor MAT-POS-e194df51-1 prevents dimerization, the covalent inhibitor nirmatrelvir induces the conversion of monomers into dimers, even with intact N-termini. Our data indicates that the Mpro dimerization is triggered by induced fit due to covalent linkage during substrate processing rather than the N-terminal processing.	Mar 2023
Krios I-Titan Krios I at Diamond	The lipid linked oligosaccharide polymerase Wzy and its regulating co-polymerase, Wzz, from enterobacterial common antigen biosynthesis form a complex Miriam Weckener , Laura S. Woodward , Bradley R. Clarke , Huanting Liu , Philip N. Ward , Audrey Le Bas , David Bhella , Chris Whitfield , James H. Naismith Open Biology 13 DOI: 10.1098/rsob.220373 Diamond Proposal Number(s): [16637] Open Access Show Abstract ▼ Abstract: The enterobacterial common antigen (ECA) is a carbohydrate polymer that is associated with the cell envelope in the Enterobacteriaceae. ECA contains a repeating trisaccharide which is polymerized by WzyE, a member of the Wzy membrane protein polymerase superfamily. WzyE activity is regulated by a membrane protein polysaccharide co-polymerase, WzzE. Förster resonance energy transfer experiments demonstrate that WzyE and WzzE from Pectobacterium atrosepticum form a complex in vivo, and immunoblotting and cryo-electron microscopy (cryo-EM) analysis confirm a defined stoichiometry of approximately eight WzzE to one WzyE. Low-resolution cryo-EM reconstructions of the complex, aided by an antibody recognizing the C-terminus of WzyE, reveals WzyE sits in the central membrane lumen formed by the octameric arrangement of the transmembrane helices of WzzE. The pairing of Wzy and Wzz is found in polymerization systems for other bacterial polymers, including lipopolysaccharide O-antigens and capsular polysaccharides. The data provide new structural insight into a conserved mechanism for regulating polysaccharide chain length in bacteria.	Mar 2023
B22-Multimode InfraRed imaging And Microspectroscopy	Efficient capture and storage of ammonia in robust aluminium-based metal-organic frameworks Lixia Guo , Joseph Hurd , Meng He , Wanpeng Lu , Jiangnan Li , Danielle Crawshaw , Mengtian Fan , Sergey A. Sapchenko , Yinlin Chen , Xiangdi Zeng , Meredydd Kippax-Jones , Wenyuan Huang , Zhaodong Zhu , Pascal Manuel , Mark D. Frogley , Daniel Lee , Martin Schroeder , Sihai Yang Communications Chemistry 6 DOI: 10.1038/s42004-023-00850-4 Diamond Proposal Number(s): [30398] Open Access Show Abstract ▼ Abstract: The development of stable sorbent materials to deliver reversible adsorption of ammonia (NH3) is a challenging task. Here, we report the efficient capture and storage of NH3 in a series of robust microporous aluminium-based metal-organic framework materials, namely MIL-160, CAU-10-H, Al-fum, and MIL-53(Al). In particular, MIL-160 shows high uptakes of NH3 of 4.8 and 12.8 mmol g−1 at both low and high pressure (0.001 and 1.0 bar, respectively) at 298 K. The combination of in situ neutron powder diffraction, synchrotron infrared micro-spectroscopy and solid-state nuclear magnetic resonance spectroscopy reveals the preferred adsorption domains of NH3 molecules in MIL-160, with H/D site-exchange between the host and guest and an unusual distortion of the local structure of [AlO6] moieties being observed. Dynamic breakthrough experiments confirm the excellent ability of MIL-160 to capture of NH3 with a dynamic uptake of 4.2 mmol g−1 at 1000 ppm. The combination of high porosity, pore aperture size and multiple binding sites promotes the significant binding affinity and capacity for NH3, which makes it a promising candidate for practical applications.	Mar 2023
B22-Multimode InfraRed imaging And Microspectroscopy	Insights into methanol-to-hydrocarbon catalysis over ZSM-5 and SAPO-34 from operando synchrotron infrared microspectroscopy Ivalina B. Minova , Santhosh K. Matam , Mark D. Frogley , Gianfelice Cinque , Richard Catlow , Paul A. Wright , Russell F. Howe DOI: 10.1142/9781800612013_0011	Mar 2023
B23-Circular Dichroism	Mueller matrix polarimetry on cyanine dye J-aggregates Samuel R. Clowes , Dora M. Răsădean , Tiberiu-M. Gianga , Tamas Javorfi , Rohanah Hussain , Giuliano Siligardi , G. Dan Pantos Molecules 28 DOI: 10.3390/molecules28041523 Diamond Proposal Number(s): [29075, 31797] Open Access Show Abstract ▼ Abstract: Cyanine dyes are known to form H- and J-aggregates in aqueous solutions. Here we show that the cyanine dye, S0271, assembles in water into vortex induced chiral J-aggregates. The chirality of the J-aggregates depends on the directionality of the vortex. This study utilised both conventional benchtop CD spectropolarimeters and Mueller matrix polarimetry. It was found that J-aggregates have real chirality alongside linear dichroism and linear and circular birefringence. We identify the factors that are key to the formation of metastable chiral J-aggregates and propose a mechanism for their assembly.	Feb 2023
I21-Resonant Inelastic X-ray Scattering (RIXS)	Resonant inelastic x-ray scattering from U3O8 and UN Eleanor Lawrence Bright , Lei Xu , Lottie Harding , Ross Springell , Andrew Walters , Martin Sundermann , Mirian Garcia-Fernandez , Stefano Agrestini , Roberto Caciuffo , Gerrit Van Der Laan , Gerry H. Lander Journal Of Physics: Condensed Matter DOI: 10.1088/1361-648X/acb8f4 Diamond Proposal Number(s): [29274] Show Abstract ▼ Abstract: Resonant inelastic x-ray scattering (RIXS) using an incident energy tuned to the uranium N4,5 absorption edges is reported from epitaxial films of α-U3O8 and UN. Theory shows that for U3O8 the multiplets associated with a 5f1 configuration with a ground state of 2F5/2 and the excited state of 2F7/2 are observed. However, the strong transition predicted at a transfer energy of 1.67 eV is not observed. We assume this is a consequence of the intermediate state lifetime broadening due to interaction with continuum states when the transferred energy exceeds the onset of the continuum in the presence of the core hole. This hypothesis is supported by the results obtained for the 5f-itinerant system UN, where no sharp transitions have been observed, although the broad scattering response centered at ∼ 1 eV is considered a signature of a predominantly 5f3 configuration in this band-like semi-metallic system. These experiments and theory add important information on these materials, both of which have been investigated since the 1960s, as well as whether RIXS at the uranium N edge can become a valuable tool for actinide research.	Feb 2023
I04-Macromolecular Crystallography	An unusual disulfide-linked dimerization in the fluorescent protein rsCherryRev1.4 Thi Yen Hang Bui , Peter Dedecker , Luc Van Meervelt Acta Crystallographica Section F Structural Biology Communications 79, 38 - 44 DOI: 10.1107/S2053230X23000572 Diamond Proposal Number(s): [19190] Show Abstract ▼ Abstract: rsCherryRev1.4 has been reported as one of the reversibly photoswitchable variants of mCherry, and is an improved version with a faster off-switching speed and lower switching fatigue at high light intensities than its precursor rsCherryRev. However, rsCherryRev1.4 still has some limitations such as a tendency to dimerize as well as complex photophysical properties. Here, the crystal structure of rsCherryRev1.4 was determined at a resolution of 2 Å and it was discovered that it forms a dimer that shows disulfide bonding between the protomers. Mutagenesis, gel electrophoresis and size-exclusion chromatography strongly implicate Cys24 in this process. Replacing Cys24 in rsCherryRev1.4 resulted in a much lower tendency towards dimerization, while introducing Cys24 into mCherry correspondingly increased its dimerization. In principle, this finding opens the possibility of developing redox sensors based on controlled dimerization via disulfide cross-linking in fluorescent proteins, even though the actual application of engineering such sensors still requires additional research.	Feb 2023

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