MacromolecularBiologyDiffractionBiochemistryCharacterizationHIGH-RESOLUTION X-RAY CRYSTALLOGRSpectroscopyFemtosecondSerial synchrotronProteinsTime-resolvedElectron microscopy2017MethodsMacromoleculesExperimentalDynamicsMoleculesExperimentsStructuresPeptideCrystalsFunctionalTheoreticalBiochemicalMicrocrystalsBiologicalEnzymologyLigandsFragmentEnzymePrinciplesWangMaturationBeamlineAnalysisLaboratoryInsight
Macromolecular10
- HYDERABAD, India - August 21st, 2017 - At the 24th Congress & General Assembly of the International Union of Crystallography (IUCr), Bruker today announces the new, high-performance D8 VENTURE BIOTOOLS TM for laboratory macromolecular crystallography. (bruker.com)
- Dr. Vernon Smith, the Business Development Manager for Macromolecular Crystallography at Bruker AXS, noted: "With the D8 VENTURE BIOTOOLS , Bruker has once again set new standards in crystallography systems for the home laboratory. (bruker.com)
- These are vital for the storage and retrieval of more sophisticated macromolecular structural experiments. (europa.eu)
- The facility provides instrumentation and expertise for collecting and processing x-ray diffraction data from macromolecular single crystals and is available to all the research groups inside and outside the campus. (umms.org)
- During my PhD, I specialized in sample preparation for Neutron Macromolecular Crystallography. (lu.se)
- The purpose is to make neutron macromolecular crystallography at ESS world leading and available to the biotechnological and pharmaceutical industry in Sweden. (lu.se)
- However, neutron macromolecular crystallography is still in its infancy with "only" 170 of the total 200 000 structures in the Protein Data Bank determined by this technique. (lu.se)
- Moreover, the software required for getting from raw data to scientific results is inadequate and often tedious to work with, which is a major hindrance for the wider use of neutron macromolecular crystallography, particular for the life science community that does not have a tradition of developing software. (lu.se)
- It is this latter aspect that is addressed in this proposal for the NMX (neutron macromolecular crystallography) instrument at ESS, which, combined with the high flux at ESS, will make NMX a truly world leading instrument attractive for industrial and academic research. (lu.se)
- In a collaborative effort, the Lund Protein Production Platform (LP3) , the FragMAX platform at the BioMAX beamline of the MAX IV laboratory, the Deuteration and Macromolecular Crystallization (DEMAX) of the European Spallation Source ESS and the group of Professor F. Kozielski at University College London published new results on non-structural protein from SARS-CoV-2. (lu.se)
Biology19
- 2009-2014 Ph.D. in Biochemistry, Biophysics and Structural Biology (Advisor: Prof. Gerhard Grüber), School of Biological Sciences, Nanyang Technological University. (ntu.edu.sg)
- This includes a wide range of complementary techniques and expertise in molecular biology and cellular signalling, glycobiology , and structural biology and is underpinned by a wide range of national and international collaborations and access to world-leading Central Facilities including Institute Laue Langevin ( Life Sciences Group and Deuteration Laboratory ), Diamond Light Source and Harwell Campus , Liverpool Technology Directorate and Midlands Innovation . (keele.ac.uk)
- A structural biology laboratory using NMR spectroscopy, X-ray crystallography and various biophysical techniques to answer biological questions. (kcl.ac.uk)
- He is the director of the Institute for Basic Biomedical Sciences, professor of biophysics and biophysical chemistry at the Johns Hopkins University School of Medicine and co-director of the Cancer Chemical and Structural Biology Program for the Johns Hopkins Kimmel Cancer Center. (hopkinsmedicine.org)
- Enzymology and structural biology are highly dependent on the accurate three-dimensional models obtained by X-ray crystallography. (iucr.org)
- This method can help to answer key questions in structural biology about putting biological function so that the determination of all solutions stay structure of protein. (jove.com)
- The complex of structural biology beamlines BM29, ID30A-1, ID30A-3 and ID30B has been completed in 2015 and is in full user operation. (esrf.fr)
- Our laboratory studies molecular mechanisms of the host machinery mediating defense against invading pathogens using a structural biology approach that integrates cryo-EM imaging with methods from biophysics, protein biochemistry and cell biology. (academictransfer.com)
- You will express and purify key protein complexes mediating intracellular immunity and determine their structure using state-of-the-art structural biology techniques. (academictransfer.com)
- Training will be provided in molecular biology, protein biochemistry, cryo-EM and associated image-processing techniques as well as X-ray crystallography. (academictransfer.com)
- Depending on the experience and interest of the applicant, there will be flexibility to focus the project towards cellular or molecular structural biology. (academictransfer.com)
- Structural Biology of Bacterial Pathogenesis, by Gabriel Waksman, Michael Caparon, and Scott Hultgren, is a state-of-the-art treatise describing the known molecular mechanisms by which bacterial pathogens actively probe, sense, and respond to their environment through 2-component systems and through sigma and anti-sigma factors. (cdc.gov)
- Neutron crystallography is emerging as a unique and highly promising technique for structural biology because, unlike other techniques, it can probe the locations of protons (or more specifically the heavier isotope deuterium) which are paramount for understanding biochemical processes, e.g. the hydrogen-bond pattern, the charge and tautomeric states, as well as the interactions with the surrounding solvent. (lu.se)
- Indeed, like other techniques for structural biology (i.e. (lu.se)
- The complementarity of these scattering techniques with other structural biology methods, such as NMR, will be considered as well. (lu.se)
- The new European neutron source (ESS) in Lund, to be commissioned in 2025, and the 4th generation synchrotrons will lead to a significant breakthrough in scattering techniques, opening particularly interesting perspectives for structural biology. (lu.se)
- 2000-2022 I was on secondment to the Partnership for Structural Biology at the Institut Laue Langevin (ILL) in Grenoble, France, where I hold a Senior Fellowship and am Head of the Life Sciences Group. (lu.se)
- The Center for Molecular Protein Science (CMPS) brings together scientists active within the fields of biochemistry, molecular biophysics, structural biology, and physical and theoretical chemistry. (lu.se)
- CMPS is a highly integrated center comprising the divisions of Biochemistry and Structural Biology (Faculty of Science) and Biophysical Chemistry (Faculty of Engineering, LTH). (lu.se)
Diffraction10
- The connection between crystallography and quantum chemistry has always been very tight, after X-ray diffraction techniques became available in crystallography. (wikipedia.org)
- Parallel to studies on wave function determination, R. F. Stewart and P. Coppens investigated the possibilities to compute models for one-electron charge density from X-ray scattering (for example by means of pseudoatoms multipolar expansion), and later of spin density from polarized neutron diffraction, that originated the scientific community of charge, spin and momentum density. (wikipedia.org)
- Electron density and bonding in crystals: Principles, theory and X-ray diffraction experiments in solid state physics and chemistry. (wikipedia.org)
- Serial femtosecond crystallography was initially developed for room-temperature X-ray diffraction studies of macromolecules at X-ray free electron lasers. (lu.se)
- Serial synchrotron X-ray crystallography (SSX), which extends serial crystallography methods to synchrotron radiation sources, is expanding the scientific community using serial diffraction methods. (lu.se)
- However, this technique obtains structural information by diffraction from electrons in the enzyme. (sciencedaily.com)
- Neutron crystallography, which analyzes diffraction from atomic nuclei in the enzyme (all atoms have an atomic nucleus), is an alternative imaging technique that the researchers chose for their work. (sciencedaily.com)
- Understanding the principles behind the processing and interpretation of the data obtained from X-ray diffraction, so that they can critically analyse their own data and that in the literature. (southampton.ac.uk)
- Specifically, serial synchrotron structures of a heme peroxidase enzyme reveal that X-ray induced changes occur at far lower doses than those at which diffraction quality is compromised (the Garman limit), consistent with previous studies on the reduction of heme proteins by low X-ray doses. (iucr.org)
- Assessment of information content of X-ray data has been addressed through the Diffraction Precision Indicator (DPI). (europa.eu)
Biochemistry2
- This study provides unprecedented structural insights into the enzyme's biochemistry. (sciencedaily.com)
- Dr Maria Hrmova , Emerita Professor of Structural Biochemistry, School of Agriculture, Food and Wine, Waite Research Institute, The University of Adelaide. (edu.au)
Characterization3
- Edwards, DJ, Pritchard, RG & Wallace, TW 2005, ' Fine-tuning of biaryl dihedral angles: Structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography ', Acta Crystallographica Section B: Structural Science , vol. 61, no. 3, pp. 335-345. (manchester.ac.uk)
- Mass spectrometry combined with X-ray crystallography allows the characterization of cap protein interactions. (biosyn.com)
- Structural characterization of PvdA and PvdF by x-ray crystallography is underway. (ku.edu)
HIGH-RESOLUTION X-RAY CRYSTALLOGR1
- Structural changes of a barley enzyme, as envisaged by high-resolution X-ray crystallography and multiscale molecular modelling. (edu.au)
Spectroscopy3
- While in quantum chemistry, the experimental works mainly rely on spectroscopy, in quantum crystallography the scattering techniques (X-rays, neutrons, γ-Rays, electrons) play the central role, although spectroscopy as well as atomic microscopy are also sources of information. (wikipedia.org)
- Structural characterisation is performed using mainly multi-nuclear NMR spectroscopy and X-ray crystallography. (lu.se)
- Structures of a significant number of SH2 domains both in isolation and bound to various target molecules have been determined by X-ray crystallography and NMR spectroscopy. (lu.se)
Femtosecond3
- Time-resolved serial femtosecond crystallography (SFX) can potentially shine light on these conformational changes. (jyu.fi)
- Here we report the room temperature crystal structure of the chromophorebinding domains of the Deinococcus radiodurans phytochrome at 2.1Å resolution.The structure was obtained by serial femtosecond X-ray crystallography from microcrystals at an X-ray free electron laser.We find overall good agreement compared to a crystal structure at 1.35Å resolution derived from conventional crystallography at cryogenic temperatures, which we also report here. (jyu.fi)
- This approach allows direct comparison of dose-resolved serial synchrotron and damage-free XFEL serial femtosecond crystallography structures of radiation-sensitive proteins. (iucr.org)
Serial synchrotron1
- Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography. (nature.com)
Proteins7
- You will find out about the experimental techniques, such as X-ray crystallography, nuclear magnetic resonance and electron microscopy, which are used to determine the 3D structure of proteins. (manchester.ac.uk)
- This approach is widely applicable to any protein where the crystal structure is altered by the synchrotron X-ray beam and provides a solution to the urgent requirement to determine intact structures of such proteins in a high-throughput and accessible manner. (iucr.org)
- communicating and validating the models resulting from 3D structural studies on peptides, proteins, nucleic acids, and other molecules that act as ligands and co-factors. (europa.eu)
- Structural complexes between proteins and their substrates can be studied in the gas-phase to determine equilibrium dissociation constants. (biosyn.com)
- The structural and functional integrity of this overhang is based on its association with a constellation of specific proteins, some of them belonging to the shelterin complex [ 10 ]. (hindawi.com)
- This method describes the cloning, expression, and purification of recombinant Nsa1 for structural determination by X-ray crystallography and small-angle X-ray scattering (SAXS), and is applicable for the hybrid structural analysis of other proteins containing both ordered and disordered domains. (jove.com)
- I am a structural biologist interested in understanding the structure of proteins involved in various biological mechanisms. (lu.se)
Time-resolved3
- When combined with tools that initiate biological reactions within microcrystals, time-resolved serial crystallography allows the study of structural changes that occur during an enzyme catalytic reaction. (lu.se)
- The study paves the way for time-resolved structural investigations of the phytochrome photocycle with time-resolved SFX. (jyu.fi)
- We demonstrate the use of serial time-resolved crystallography at a synchrotron source with sub-millisecond resolution for rhodopsin studies, opening the door for principally new applications. (nature.com)
Electron microscopy3
- Outline methods for 3D structure determination by X-ray crystallography, NMR and electron microscopy. (manchester.ac.uk)
- however, they are increasingly merging these methods with other experimental tools such as small-angle X-ray scattering, single-molecule approaches, and electron microscopy. (hopkinsmedicine.org)
- Previous experience with electron microscopy or X-ray crystallography is beneficial, but not required. (academictransfer.com)
20171
- The Erice School of crystallography (52nd course): first course on Quantum crystallography (June 2018) The XIX Sagamore Conference (July 2018) The CECAM meeting on Quantum crystallography (June 2017) The IUCr commission on Quantum crystallography The International Union of Crystallography Macchi, Piero (2020). (wikipedia.org)
Methods5
- Therefore, having a reliable cascade of screening methods to be used as pre-screens prior to labor-intensive X-ray crystallography would be extremely beneficial. (uni-marburg.de)
- The approach relies on a blend of structural, biochemical, and biophysical methods to define the architecture, function, evolution, and regulation of protein/nucleic acid complexes. (hopkinsmedicine.org)
- The methods conventionally developed for validation of X-ray models have been extended to NMR. (europa.eu)
- This will be pursued by the development of sophisticated analysis software and by integrating methods from a Swedish expert research group in computational methods for crystallography into the pipeline. (lu.se)
- The course deals with both the principles determining these properties and the methods, mainly X-ray crystallography, that is used to study them in modern molecular protein science. (lu.se)
Macromolecules1
- The purpose of the X-ray Crystallography Shared Service is to provide equipment, training, assistance, and technological innovations for determining three-dimensional structures of protein and other macromolecules to understand the structural basis for biological function and dynamics. (umms.org)
Experimental3
- Like the quantum chemistry, Quantum crystallography involves both experimental and computational work. (wikipedia.org)
- The book Modern Charge Density Analysis offers a survey of the research involving Quantum Crystallography and of the most adopted experimental or theoretical methodologies. (wikipedia.org)
- These models were to be be based on the two important experimental tachniques, protein crystallography and NMR, or be the result of theoretical modelling calculations. (europa.eu)
Dynamics1
- They also conducted high-throughput laboratory screening experiments, structural studies, and molecular dynamics simulations to learn how these potential inhibitors and the enzyme interact. (bnl.gov)
Molecules2
- Taxonomy of errors and mistakes in X-ray crystallography Crystallography lets us visualize the molecules of life - more than 130.000 structures in the PDB attest to that. (structbio.org)
- Structural studies using, for example, x-ray crystallography revealed how the candidate molecules fit together with the virus enzyme. (bnl.gov)
Experiments1
- Perform X-ray crystallography experiments at a basic level, from which the participant can further develop the skills on his/her own. (lu.se)
Structures5
- In this study, we present the first X-ray structures of barbiturates bound to GLIC, a cationic prokaryotic pLGIC with excellent structural homology to other relevant channels sensitive to general anesthetics and, as shown here, to barbiturates, at clinically relevant concentrations. (nih.gov)
- Finite Element Programs for Structural Vibrations presents detailed descriptions of how to use six computer programs (written in Fortran 77) to determine the resonant frequencies of one, two, and three-dimensional skeletal structures through the finite element method. (buecher.de)
- In order to gain a better understanding of the structural basis of the non-specific binding of hydrophobic ligands by nsLTPs and to investigate the plasticity of the fatty acid binding cavity in nsLTPs, seven high-resolution (between 1.3 A and 1.9 A) crystal structures have been determined. (rcsb.org)
- We solved 25 new crystal structures and combined the structural data with powerful multi-scale modelling, which revealed unexpected dynamic processes in a plant enzyme. (edu.au)
- An approach is demonstrated to obtain, in a sample- and time-efficient manner, multiple dose-resolved crystal structures from room-temperature protein microcrystals using identical fixed-target supports at both synchrotrons and X-ray free-electron lasers (XFELs). (iucr.org)
Peptide1
- Describe protein folds in terms of secondary structural elements and the restrictions on peptide structure imposed by the planarity of the peptide bond. (manchester.ac.uk)
Crystals1
- The reason for this is the limited flux at neutron sources, which therefore require very long exposure times (weeks) and very large crystals compared to X-ray crystallography. (lu.se)
Functional3
- The identification of this pore binding site sheds light on the mechanism of barbiturate inhibition of cationic pLGICs and allows the rationalization of several structural and functional features previously observed for barbiturates. (nih.gov)
- Fig. 1: Functional, spectroscopical and structural features of Bc XeR. (nature.com)
- The gene is 160 kilobases in length and has 15 exons and 14 introns with specific structural and functional domains. (medscape.com)
Theoretical1
- The theoretical part of quantum crystallography is based on quantum mechanical calculations of atomic/molecular/crystal wave functions, density matrices or density models, used to simulate the electronic structure of a crystalline material. (wikipedia.org)
Biochemical1
- This work has provided previously undisclosed structural details in a copper amine oxidase enzyme that has many functions in biochemical metabolism. (sciencedaily.com)
Microcrystals3
- This report presents a simple flow cell that can be used to deliver microcrystals across an X-ray beam during SSX studies. (lu.se)
- This system was demonstrated by collecting SSX data at MAX IV Laboratory from microcrystals of the integral membrane protein cytochrome c oxidase from Thermus thermophilus, from which an X-ray structure was determined to 2.12 Å resolution. (lu.se)
- When collecting data from microcrystals, microbeams of increased brilliance are required for optimal data collection, though the use of such beams comes with a concomitant increase in the rate of X-ray induced changes. (iucr.org)
Biological1
- The students will be expected to interpret the results in the context of the structural/biological significance. (southampton.ac.uk)
Enzymology1
- DtpA is shown through enzymology and structural analysis to be a member of the dye-decolourising peroxidase (DyP) family. (bl.uk)
Ligands3
- However, the detailed structural basis of the non-specific binding of hydrophobic ligands by nsLTPs is still poorly understood. (rcsb.org)
- The structural plasticity of the ligand binding cavity and the predominant involvement of non-specific van der Waals interactions with the hydrophobic tail of the ligands provide a structural explanation for the non-specificity of maize nsLTP. (rcsb.org)
- By fragment screening using x-ray crystallography we identified four ligands revealing ligand-binding sites in conserved interfaces between SARS-CoV-2 nsp10 and nsp14/nsp16. (lu.se)
Fragment3
- Learnings from Comparative Analysis using SPR, NMR, & X-Ray Crystallography to Optimize Fragment Screening in Drug Discovery. (uni-marburg.de)
- X-ray crystallography provides structural information that is crucial for fragment optimization, however there are several criteria that must be met for a successful fragment screening. (uni-marburg.de)
- Our 96-fragment library was screened against TGT using SPR, NMR, and X-ray crystallography, as described in Chapter 2. (uni-marburg.de)
Enzyme3
- A team has used neutron crystallography to image all of the atoms in a radical intermediate of a copper amine oxidase enzyme. (sciencedaily.com)
- Now, in a study recently published in ACS Catalysis , a team led by researchers at Osaka Medical and Pharmaceutical University and Osaka University has used neutron crystallography to image the atom-by-atom structure of a copper amine oxidase enzyme. (sciencedaily.com)
- There are pH-dependence, conformational change, and radical intermediate stabilization questions of our enzyme that X-ray crystallography in itself cannot fully explain," explains Takeshi Murakawa, lead author of the study. (sciencedaily.com)
Principles1
- Principles of X-ray crystallography, neutron crystallography, small angle X-ray and neutron scattering. (lu.se)
Wang1
- Using mass spectrometry in combination with X-ray crystallography, Wang et al. (biosyn.com)
Maturation1
- X-ray crystallography provided structural insight into the maturation process. (bl.uk)
Beamline1
- The upgrade of the beamline was completed with the delivery of three new detectors for fast and ultrafast imaging down to the time scale of a single X-ray pulse. (esrf.fr)
Analysis3
- The crystal and molecular structure of the title compound, C 24 H 36 CoN 10 O 4 ·2(NO 3 )·3(H 2 O)·Cl, have been determined by X-ray analysis: Cc (No: 9), a = 17.6920(4) Å, b = 11.8163(2) Å, c = 16.4752(4) Å, ß = 91.679(1)°, Z = 4. (mdpi.com)
- Combining NMR and small angle X-ray and neutron scattering in the structural analysis of a ternary protein-RNA complex. (ibs.fr)
- The overall goal of this procedure is to produce a recombinant protein that is composed of a mixture of ordered and disordered domains for hybrid structural analysis by both x-ray crystallography and small angle x-ray scattering. (jove.com)
Laboratory2
- The latest version of the Excillum METALJET TM , the brightest laboratory X-ray source today, is a powerful alternative to the compact, microfocus IµS DIAMOND . (bruker.com)
- With no gaps and no charge sharing, the PHOTON III detector delivers the ultimate in laboratory crystallography data quality. (bruker.com)
Insight1
- Obtain a practical insight into how X-ray crystallography is employed. (southampton.ac.uk)