• As a consequence, the researchers could carry out a structural analysis of FAT10 via x-ray crystallography and magnetic resonance spectroscopy. (asianage.com)
  • Quantum coherences and their effects on spectroscopy of large molecular aggregates are a very exciting issue these days due to recent experimental progress on both biological and synthetic samples showing unexpected long coherence times in large disordered systems. (cecam.org)
  • This is the topic of the scientific field of structural biology, that employs techniques such as X-ray crystallography or NMR spectroscopy, to determine the structure of proteins. (phys.org)
  • Here we develop attosecond serial crystallography and spectroscopy, to give a full description of ultrafast processes atomically resolved in real space and on the electronic energy landscape, from co-measurement of X-ray and optical spectra, and X-ray diffraction. (europa.eu)
  • The research activities of the CSB revolve around three major biophysical approaches for studying the structure and dynamics of complex biological macromolecules: NMR spectroscopy, X-ray crystallography, and electron cryo-microscopy. (stonybrook.edu)
  • The first symposium, which is the kick-off event for the new LINXS theme, will focus on advanced, cutting-edge research in the fields of macromolecular crystallography, Cryo-EM, small angle scattering, electron diffraction, mass-spectroscopy, NMR, and use of XFELs etc. (lu.se)
  • Further investigations by X-ray crystallography, NMR spectroscopy, and molecular modeling provided a rationale for the pronounced activity of the sulfur analogues. (lu.se)
  • Molecular biologists view RNA structures and complexes with proteins to gain insight into RNA signal and message processing. (nature.com)
  • i ) Superposition is commonly used to compare two or more related structures-for example, two distinct states of the same protein, or, as shown here, two separate proteins with similar structure (PDB 1QCF and 1FMK ) 98 . (nature.com)
  • Utilizing computational methodologies, including molecular modeling and conventional molecular dynamics simulations to understand the relationship between the three-dimensional structures, dynamics and the biological functions of DNA-binding enzymes and proteins central to Type I Diabetes. (umassmed.edu)
  • engineering proteins, nucleic acids, or nanomaterials with novel structures, dynamics, and functions for basic biology/biomedical applications and effective therapeutic approaches. (umassmed.edu)
  • This makes it possible to determine the position of individual atoms in molecules and proteins with a significantly higher resolution compared to coherent imaging using X-ray light of the same wavelength. (techbriefs.com)
  • The team made some of its discoveries using X-ray crystallography, a painstaking method for determining the molecular structures of proteins. (harvard.edu)
  • Researchers have also shown that one member of the three-protein structure interacts promiscuously with two nucleoporins as do other proteins in the nuclear pore, supporting a model of a flexible complex that can rearrange itself into different formations. (sciencedaily.com)
  • The research, performed by Vivien Nagy, a visiting graduate student, André Hoelz, a research associate, and colleagues in Rockefeller University's Laboratory of Cell Biology, uncovered the molecular structure of three interacting proteins that form the centerpiece of the Nup84 complex - an important structural component of the nuclear pore complex. (sciencedaily.com)
  • That is all the more surprising, given the fact that the folding of both proteins' domains is based on the same structure. (asianage.com)
  • His laboratory uses x-ray crystallography to determine the three-dimensional structures of proteins involved in signaling, as well as biochemical, biophysical, and cell biological analyses to elucidate mechanisms. (amgen.com)
  • His laboratory has provided a fundamental understanding of the structure and regulation several other signaling proteins, including STATs, the Ras activator SOS, and calcium/calmodulin-dependent protein kinase-II. (amgen.com)
  • Today there are more than 50,000 proteins that have been crystallized and the structures of the three-dimensional proteins comprising these crystals have been determined. (nasa.gov)
  • Unfortunately many important proteins that we would like to know the three-dimensional structures for have either resisted crystallization or have yielded crystals of such inferior quality that their structures cannot be determined. (nasa.gov)
  • We also can look at bacteria and virus protein structures to identify how to target those proteins with drugs. (nasa.gov)
  • We've only done a fraction of the more important complex protein structures-I'm referring to membrane proteins and protein-protein complexes. (nasa.gov)
  • In order to understand the functions of proteins at a molecular level, it is often necessary to determine the three dimensional structure of proteins. (phys.org)
  • Structure determination using X-ray crystallography is often used in drug discovery to proteins and their active sites at atomic resolution. (lu.se)
  • Protein structures are invaluable for biochemical studies and for mechanical or molecular mechanics calculations have become the understanding of how proteins work. (lu.se)
  • The focus of the research activities is within some major areas of modern biochemistry, structural biology and biophysical chemistry, covering topics such as structure, function and dynamics of enzymes, membrane proteins, molecular interactions, large macromolecular assemblies. (lu.se)
  • The main aim of the course is to enable students to acquire specialised knowledge and understanding of membrane biochemistry and the molecular structure, topology and functional mechanisms of membrane proteins. (lu.se)
  • A number of proteins from each process, for which the structure is known, are explored in greater detail in order to highlight the functional molecular mechanisms. (lu.se)
  • Lectures dealing with methods for theoretical modelling of membrane protein structure, fusion protein techniques, X-ray crystallography, heterologous expression, solubilisation and purification of membrane proteins are also included in the course. (lu.se)
  • Group discussions about e.g. the similarities/dissimilarities, cloning and overexpression strategies, and structure and function of membrane proteins. (lu.se)
  • It is important to obtain accurate three dimensional structures of molecules and proteins to understand and predict their function and behaviour. (lu.se)
  • X-ray crystallography is the major technique to determine three dimensional structures of proteins. (lu.se)
  • We want to understand the molecular mechanisms of biological processes by exploring the structure, dynamics, interactions and function of proteins. (lu.se)
  • Here we report the cryo-electron microscopy structure of a tubular HIV-1 capsid-protein assembly at 8 Å resolution and the three-dimensional structure of a native HIV-1 core by cryo-electron tomography. (nature.com)
  • The cryo-electron-microscopy structures enable modelling by large-scale molecular dynamics simulation, resulting in all-atom models for the hexamer-of-hexamer and pentamer-of-hexamer elements as well as for the entire capsid. (nature.com)
  • By using an integrative approach which combines cryo-electron microscopy and X-ray crystallography, the Unit of Structural Dynamics of Macromolecules deciphered the recruitment and cooperativity mechanisms between DNA polymerase D and PCNA. (pasteur.fr)
  • Time-resolved crystallography and cryo-electron microscopy are capable of recording biological events and they inform us about the dynamics of enzymes and living cell activities. (irb.hr)
  • Welcome to the fascinating world of molecular biology , where biologists study the intricate molecular mechanisms of biological molecules that determine our traits through genomics and mendelian genetics. (freescience.info)
  • Molecular biology , a field studied by biologists, focuses on the study of biological molecules and their interactions at the molecular level. (freescience.info)
  • In this article series on molecular biology, we will dive deeper into the captivating realm of genomics, where biologists study the genome and explore the fascinating world of Mendelian genetics. (freescience.info)
  • Molecular biology, a branch of science that combines biology and chemistry, is crucial for advancements in medicine, biotechnology, agriculture, and our understanding of evolution and biodiversity. (freescience.info)
  • Let's delve into the significance of molecular biology in each of these areas. (freescience.info)
  • Molecular biology, a branch of science, has revolutionized the field of medicine by providing insights into the intricate mechanisms underlying diseases at a molecular level. (freescience.info)
  • For instance, in cancer treatment, molecular biology techniques have led to breakthroughs in genomics and genetics such as personalized medicine. (freescience.info)
  • Molecular biology aids in drug discovery by identifying potential therapeutic targets and evaluating their efficacy in DNA. (freescience.info)
  • Molecular biology techniques, such as DNA sequencing and genotyping, have facilitated the identification of genetic variations that impact drug metabolism and efficacy. (freescience.info)
  • Thanks to molecular biology techniques like DNA sequencing and gene expression analysis, biologists have made significant strides in understanding genetics and genomics. (freescience.info)
  • Molecular biology techniques are instrumental in designing safe and effective gene delivery systems for the manipulation of DNA and genome. (freescience.info)
  • 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)
  • Structural biology is rapidly accumulating a wealth of detailed information about protein function, binding sites, RNA, large assemblies and molecular motions. (nature.com)
  • Decades ago, when structural biology was still in its infancy, structures were rare and structural biologists often dedicated years of their life to studying just one structure at atomic detail. (nature.com)
  • Journal of Molecular Biology 251, 563-573. (biotechnolog.pl)
  • Pauling received his doctorate in chemistry at the California Institute of Technology where he made revolutionary discoveries in chemistry, physics, molecular biology and medicine. (films.com)
  • In their work, the Unit of Structural Dynamics of Macromolecules presented the structure of the DNA-bound PolD-PCNA complex from P. abyssi at 3.77 Å using an integrative structural biology approach, combining cryo-EM, X-ray crystallography, protein-protein interaction measurements and activity assays. (pasteur.fr)
  • He was a Professor of Molecular and Cell Biology and also of Chemistry at the University of California, Berkeley, between 2001 and 2022. (amgen.com)
  • Merck Award, American Society of Biochemistry and Molecular Biology, 2009. (amgen.com)
  • Schering-Plough Award of the American Society of Biochemistry and Molecular Biology, 1994. (amgen.com)
  • This technique will revolutionize our understanding of structure and function at the atomic and molecular level and thereby unravel fundamental processes in chemistry and biology. (europa.eu)
  • We will apply our new capabilities to one of the most important problems in structural biology, which is to elucidate the dynamics of light reactions, electron transfer and protein structure in photosynthesis. (europa.eu)
  • The rapid and impressive advancements in chemical biology during the last decade have clearly demonstrated that solutions for a vast majority of medical problems rely on the understanding of the molecular basis of diseases, therapeutic targets, drug actions, and drug resistance. (stonybrook.edu)
  • The book is rewarding because it assembles contributions from diverse fields such as X-ray crystallography, electrophysiology, biochemistry, cell biology and developmental biology. (iospress.com)
  • Experience: Dr. Umbuzeiro graduated in Biology in the State University of Campinas- UNICAMP (1979), master's and in Genetics and Molecular Biology from UNICAMP (1985) and Ph.D. in Genetics and Molecular Biology from UNICAMP (1990). (cdc.gov)
  • 120 credits) in Chemistry and Molecular Biology and compulsory for a degree of Master of Science (120 credits) in Protein Science. (lu.se)
  • With the rapid progress and improvements in the fields of macromolecular crystallography, Cryo-EM, small angle scattering, electron diffraction and use of XFELs, the new LINXS theme INTEGRATIVE STRUCTURAL BIOLOGY is formed to advance cutting-edge research and to encourage new users to utilize integrative structure biology to address key scientific questions. (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)
  • Our research focuses on major areas of modern biochemistry and molecular biology. (lu.se)
  • Our facilities provide the opportunity to study protein structure, molecular probes and drug design, system biology and molecular interactions in cells and tissues. (lu.se)
  • Before the development of X-ray diffraction crystallography (see below), the study of crystals was based on physical measurements of their geometry using a goniometer. (wikipedia.org)
  • Crystallographers often explicitly state the type of beam used, as in the terms X-ray crystallography, neutron diffraction and electron diffraction. (wikipedia.org)
  • Diffracted X-ray or neutron beams cannot be focused to produce images, so the sample structure must be reconstructed from the diffraction pattern. (wikipedia.org)
  • What wasn't clear was whether the structure of the crystal and the wavelength of X-rays had any influence on the diffraction pattern. (nobelprize.org)
  • Rather than considering the dreadful complexity of each individual atom's contribution to the X-ray diffraction pattern, the Braggs' hypothesis was that one could mathematically predict the diffraction pattern from reflections from each successive plane of atoms within the crystal. (nobelprize.org)
  • Together the two scientists used the spectrometer to analyse the structure of several salts and small molecules, establishing fundamental mathematical relationships between an X-ray diffraction pattern and the dimensional arrangement of atoms in a crystal that produced the pattern. (nobelprize.org)
  • If a sufficient number of these photons can be measured with a detector, a characteristic diffraction pattern or wave pattern is obtained from which the atomic structure of the crystal can be derived. (techbriefs.com)
  • At CSIR, with the benefit of the high-quality workshop capabilities developed during the Second World War, Sandy rapidly established an X-ray single-crystal diffraction laboratory that became a Mecca for budding crystallographers, with Sandy a strong mentoring influence for many young local scientists. (iucr.org)
  • Using computers, we take those diffraction spots and mathematically determine the structure of where every atom is in the protein. (nasa.gov)
  • This allows users to have their crystals rapidly evaluated for diffraction and LP3 can also offer the possibility to process data and solve structures. (lu.se)
  • A fusion of cutting-edge methodologies, intertwining molecular dynamics simulations and the power of machine learning. (umassmed.edu)
  • Protein Expression and Purification, Computational Modeling, Molecular Dynamic Simulations, X-ray Crystallography, Enzyme Activity and Enzyme Inhibition Assays, Structure Aided Drug Design. (umassmed.edu)
  • Nowadays, for instance, molecular dynamics simulations and experimental photophysical methodologies reach similar time scales, and spatial resolution is being added to many spectroscopic apparatus, turning them into microscopes. (cecam.org)
  • Therefore one often restricts calculations to classical molecular dynamics simulations for an atomic level description. (cecam.org)
  • Therefore an extension of classical molecular-dynamics simulations is needed to treat molecules which behave quantum mechanically within the context of their protein environment which itself can be treated classically. (cecam.org)
  • Another route is to use classical molecular dynamics simulations at an atomic level to derive the parameter values for a more simplified system-bath model which then can be treated fully quantum mechanically [10-13]. (cecam.org)
  • During molecular dynamics simulations the pantoate remains in this position when sodium ions are present but is more mobile in their absence. (elifesciences.org)
  • Molecular dynamics (MD) simulations highlight the improved stability for the substrate in the active site when ions are present, suggesting a binding order during the transport cycle. (elifesciences.org)
  • In combination with bioinformatics, very fast events, recorded experimentally or proposed theoretically, can be interpreted by the methods of molecular dynamics simulations. (irb.hr)
  • Applications of quantum chemical calculations to investigations of molecular and materials properties, as well as development and applications of classical reaction dynamics simulations. (lu.se)
  • In the former projects atomistic and coarse-grained molecular dynamics and Monte Carlo simulations will be used together with experimental techniques such as scattering and circular dichroism, whereas the third project is focused on atomistic simulations solely. (lu.se)
  • We have assessed and used computational tools for this aim, most of them based on molecular dynamics (MD) simulations. (lu.se)
  • Recent technological breakthroughs, such as ultra-fast pulsed lasers, high-performance computing and crystallography of macromolecules, helped to improve the experimental tools of physicists, biologists, and chemists working, in particular, in the area of chemical and biological physics. (cecam.org)
  • For example, in biological physics these details are mainly obtained by x-ray crystallography of a crystallized version of the macromolecules. (cecam.org)
  • The X-ray facility has the latest robots and imaging equipment for preparing crystals of macromolecules. (stonybrook.edu)
  • Systematics of known crystal structures of small molecules and macromolecules and their assemblies collected over the years has developed our perception of the nature of the chemical bond, and the interactions between atoms and molecules, which determine the chemical, physical, and biological properties. (irb.hr)
  • Taking a close look at an integrin involved in blood clotting, Timothy Springer , the Latham Family Professor of Biological Chemistry and Molecular Pharmacology at HMS and Boston Children's, and colleagues found that failed drugs for two different integrins inadvertently encourage the integrins to open up into their "on" position, potentially driving integrin activity instead of quelling it. (harvard.edu)
  • This is the first example of a molecular copper wire being formed in a stepwise, atom-by-atom process," says Julia Khusnutdinova, head of the OIST Coordination Chemistry and Catalysis Unit. (nanowerk.com)
  • Laufer Center researchers come from a broad community including Stony Brook departments of chemistry, physics, applied mathematics and statistics, computer science, molecular genetics and microbiology as well as Cold Spring Harbor Laboratory. (stonybrook.edu)
  • This review is focused on the present status of X-ray crystallography and its impact on chemistry and the life sciences. (irb.hr)
  • Crystallography is a fundamental subject in the fields of materials science and solid-state physics (condensed matter physics). (wikipedia.org)
  • The vivid interplay of ideas coming from different scientific fields and technologies has led to capital discoveries, which have opened roads to new disciplines, such as molecular genetics and molecular medicine. (irb.hr)
  • X-ray crystallography yields atomic-resolution 3D images of the whole spectrum of molecules ranging from small inorganic clusters to large protein complexes constituting the macromolecular machinery of life. (europa.eu)
  • 3D fluorescence studies showed that the HSA structure was altered at the secondary and tertiary levels upon binding with the complexes. (rsc.org)
  • Molecular docking studies indicated that all three complexes primarily bind to HSA in subdomain IIA with amino acid residues such as Arg218 and Lys199 which are located at the entrance of Sudlow's site I. The in vitro cytotoxicities of complexes 1-3 against HeLa cells showed promising anticancer activity (IC 50 = 3.5, 3.9 and 16.9 μM for 1 , 2 and 3 , respectively). (rsc.org)
  • In a first couple of examples, I will show how distance and shape restraints from SANS have helped to improve the uniqueness of structural models for two multi-protein-RNA complexes, in combination with NMR restraints and building blocks from crystallography [1, 2]. (lu.se)
  • For the Fe(II) carbene complexes investigated, small changes in the ligand structure influenced both what excited state (charge-transfer or metal-centred) that was mainly populated and the lifetime of the state. (lu.se)
  • In this review, we focus on key biological questions where visualizing three-dimensional structures can provide insight and describe available methods and tools. (nature.com)
  • This method could significantly improve the quality of X-ray images in comparison to conventional methods. (techbriefs.com)
  • Sandy continued to make major contributions to the field over a 64-year time span and was widely recognized for his pioneering work in crystallographic methods, molecular structure determination and related instrument development. (iucr.org)
  • In one very notable instance, using X-ray crystallographic data (plus some chemical insight) he and Janis Fridrichsons pipped at the post a group of Swiss organic chemists who were using conventional analytical methods to try to determine the structure of lanostenol, a component of wool wax. (iucr.org)
  • On the crystallographic methods and instrumentation side, Sandy was an early exponent of the `heavy atom' method, e.g. using sulphur, iodine or bromine as heavy atoms, and made important contributions to the determination of absolute structures. (iucr.org)
  • He also developed a range of other experimental methods aimed at the clean separation of sample and instrumental effects contributing to the distribution of intensity in Bragg reflections, and the elimination of extinction from structure factor measurements using extrapolation to the `zero interaction' (extinction free) limit. (iucr.org)
  • Pharmaceutical research has successfully incorporated a wealth of molecular modeling methods, within a variety of drug discovery programs, to study complex biological and chemical systems. (mdpi.com)
  • Broadly used in modern drug design, molecular docking methods explore the ligand conformations adopted within the binding sites of macromolecular targets. (mdpi.com)
  • The advanced and new methods and technologies of the modern era, such as third-generation synchrotrons, sensitive area detectors, up-to date computer technologies with computer graphics, cryo-techniques, micro-crystallization methods, and genetic engineering, all contributing to the development of X-ray crystallography, are evaluated in separate paragraphs. (irb.hr)
  • Similar methods can be used for EXAFS refinements to obtain a full atomic structure, rather than a set of metal-ligand distances. (lu.se)
  • The most common strong alternative and complement to experimental methods to methods to obtain protein structures are X-ray crystallography obtain insight in biochemical processes. (lu.se)
  • to obtain structures and their relation to theoretical methods. (lu.se)
  • A method is called theoretical if it obtains its results from calcula- structure and function of metalloproteins with theoretical methods tions rather than from experiments. (lu.se)
  • Automated methods to determine hydrogen positions in neutron crystal structures. (lu.se)
  • We mostly used molecular mechanics (MM) in order to model the protein-ligand interactions, which is more approximate than quantum-mechanical (QM) methods, but necessary to reduce the computational cost when doing calculations on protein-ligand systems, which often contain tens of thousand of atoms. (lu.se)
  • Structure of the HIV-1 full-length capsid protein in a conformationally trapped unassembled state induced by small-molecule binding. (nature.com)
  • In small-molecule crystallography, some of the shortcomings in the model have already been overcome, but in protein crystallography they still remain. (lu.se)
  • Therefore, we have adapted the Hirshfeld atom refinement from small-molecule crystallography to make it available also to. (lu.se)
  • Facilities include those for protein-sequence analysis, peptide and oligonucleotide synthesis, access to the synchrotron at Lawrence Berkeley National Lab for X-ray crystallography, and NMR spectrometry. (berkeley.edu)
  • With the help of various forms of mass spectrometry, synchrotron radiation, protein production & labelling, and bioinformatics, our facilities provide the opportunity to study protein structure and dynamics, molecular probes and drug design. (lu.se)
  • This fundamental knowledge enables structure and property predictions, useful in many branches of science and technology. (irb.hr)
  • The structure of the tubular assembly shows, at the three-fold interface 11 , a three-helix bundle with critical hydrophobic interactions. (nature.com)
  • Today's tools are increasingly internet aware, often integrated tightly with structure databases ( Table 1 ), as well as with databases containing sequences and other features (for example, domains, single-nucleotide polymorphisms (SNPs), interactions). (nature.com)
  • Knowledge of the three-dimensional structures of the carbo-hydrate molecules is indispensable for a full understanding of the molecular processes in which carbohydrates are involved, such as protein glycosylation or protein-carbohydrate interactions. (iucr.org)
  • Crystallography is the experimental science of determining the arrangement of atoms in crystalline solids. (wikipedia.org)
  • LP3 has been granted beamtime at BioMAX (the X-ray macromolecular crystallography beamline of MAX IV). (lu.se)
  • Some aspects of structure visualization remain mostly the domain of the specialist, such as molecular motion and large-scale molecular assemblies. (nature.com)
  • The crystal structure determinations of very complex biological assemblies such as viruses and ribosomes illustrate the power of contemporary X-ray structure analysis. (irb.hr)
  • Pauling mastered X-ray crystallography and learned quantum mechanics, facilitating the discovery of several molecular structures, which he believed key to understanding atomic behavior. (films.com)
  • An ab initio calculation of the optical and energy/charge transfer processes in these large molecular aggregates is still a very complicated issue and theoreticians are facing several severe problems when trying to model quantum and optical effects in these systems. (cecam.org)
  • When modeling large and complex molecular aggregates it is impossible to treat all degrees of freedom quantum mechanically, especially in complicated environments. (cecam.org)
  • As detailed above a fully quantum-mechanical treatment of static and/or dynamical properties is out of reach for bigger molecules within an environment such as a surrounding liquid or protein structure. (cecam.org)
  • Efficiency of X-PDT depends on 1O2 quantum yield as well as X-ray mortality rate. (bvsalud.org)
  • The use of molecular mechanics calculations to supplement experimental data in standard X-ray crystallography and NMR refinements is discussed and it is shown that structures can be locally improved by the use of quantum chemical calculations. (lu.se)
  • With quantum refinement, it is possible to distinguish between different interpretations of the structure, e.g. the elemental composition or the protonation state, even from medium-resolution crystallographic data. (lu.se)
  • Furthermore, quantum refinement was applied to settle the nature of the unusual bidentate ligand in V-nitrogenase and the protonation state of the MoFe cluster in Mo-nitrogenase when inhibited by CO. For a recent structure of Mo-nitrogenase, we showed that there is no experimental support for the suggestion that N 2 is bound to the MoFe-cluster and presented a more likely model. (lu.se)
  • Finally, for triosephosphate isomerase we used a joint X-ray and neutron quantum refinement to investigate the hydrogen bond between an inhibitor and Lys-13. (lu.se)
  • Dr. Kuriyan's research concerns the atomic-level structure and mechanism of the enzymes and molecular switches that carry out cellular signal transduction. (amgen.com)
  • this flexibility discourages determination of crystal structures of AChE in complex with effective reactivators that are intrinsically disordered. (proteopedia.org)
  • For instance, metal atoms can be made into nanoscale 'molecular wires. (nanowerk.com)
  • Also known as Extended Metal Atom Chains (EMACs), molecular wires are one-dimensional chains of single metal atoms connected to an organic molecule, called a ligand, that acts as a support. (nanowerk.com)
  • Researchers at the Okinawa Institute of Science and Technology Graduate University (OIST) have found a simple way to create copper molecular wires of different lengths by adding or removing copper atoms one by one. (nanowerk.com)
  • By adding or removing copper atoms one at a time in this way, the researchers can construct molecular wires of different lengths, varying from 1 to 4 copper atoms. (nanowerk.com)
  • For example, in most protein structures we can't even see the hydrogen atoms. (nasa.gov)
  • The same water-harnessing design principle has already been extended to another integrin, and structural information suggests that researchers can design drugs to target further members of the integrin family to treat diseases that cause great suffering," said Springer, who is a member of the Program in Cellular and Molecular Medicine at Boston Children's. (harvard.edu)
  • Creating molecular wires of different lengths is difficult because it requires a specific ligand to be synthesized each time. (nanowerk.com)
  • In their paper, published in Angewandte Chemie International Edition ( 'Controlled and Reversible Stepwise Growth of Linear Copper(I) Chains Enabled by Dynamic Ligand Scaffolds' ), the researchers describe their new stepwise method of creating copper molecular wires. (nanowerk.com)
  • Because of their highly ordered and repetitive atomic structure (Bravais lattice), crystals diffract x-rays in a coherent manner, also referred to as Bragg's reflection. (wikipedia.org)
  • When Max von Laue showed that X-rays are diffracted in crystals and form characteristic patterns on photographic film, he proved in a single experiment that X-rays are wave-like in nature, and that crystals have a lattice-like structure. (nobelprize.org)
  • At the same time, William Henry Bragg designed the X-ray spectrometer, a device that could examine the reflections of X-rays from crystals. (nobelprize.org)
  • Crystals of insulin grown in space (left) helped scientists determine the vital enzyme's structure with much higher resolution than possible with Earth-grown crystals (right). (nasa.gov)
  • When we expose protein crystals to an x-ray beam, we get what's called constructive interference. (nasa.gov)
  • Collaborative investigations of photophysics, photochemistry and ultrafast dynamics in molecular and heterogeneous systems carried out together with experimental colleagues. (lu.se)
  • Miller indices in parentheses such as (100) denote a plane of the crystal structure, and regular repetitions of that plane with a particular spacing. (wikipedia.org)
  • Crystal structure of dimeric HIV-1 capsid protein. (nature.com)
  • We report the 9.7 Å resolution crystal structure of a 6-nucleosome array bound to linker histone H1 determined under ionic conditions that favor incomplete chromatin condensation. (nih.gov)
  • Biophysical, cryo-EM, and crosslinking data validate the crystal structure and reveal that a minor change in ionic environment shifts the conformational landscape to a more compact, twisted form. (nih.gov)
  • 1995) The Three-Dimensional Crystal Structure of Cholera Toxin . (biotechnolog.pl)
  • Here, we solve the crystal structure at 2.3 Å of a transporter from Neisseria meningitidis (ASBT NM ) in complex with pantoate, a potential substrate of ASBT NM . (elifesciences.org)
  • We have also determined their crystal structure. (springer.com)
  • To explore the concepts of genomics, molecular biologists employ cutting-edge techniques such as PCR (polymerase chain reaction), cloning, sequencing, and genetic engineering. (freescience.info)
  • Most calculations on large chemical and/or biological molecules use classical molecular dynamics up to now. (cecam.org)
  • Such calculations can also be used to interpret the structures, e.g. to decide the protonation state of metal-bound ligands. (lu.se)
  • 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)
  • This compound has a chlorine atom in its structure linked to the quinoxaline ring (C-5) substituted at the C-2 position with a sulfanilamide moiety. (springer.com)
  • To achieve this goal, we combined the molecular fractionation with conjugate caps approach with the Hirshfeld atom refinement. (lu.se)
  • The incoherently scattered X-ray photons are not recorded over a longer period of time, but in time-resolved short snapshots. (techbriefs.com)
  • Stereoscopic time-resolved visualization of three-dimensional structures in a hypersonic flow was performed for the first time in NASA Langley Research Center's 31-inch Mach 10 Air Tunnel. (techbriefs.com)
  • His work helped to allay the prevailing scepticism of the organic chemists by providing valuable examples demonstrating that, provided suitable crystalline derivatives could be prepared, such organic structures could be determined ab initio ( i.e. using crystallographic data and the empirical formula). (iucr.org)
  • Molecular structure of a gold-based precursor used for PET tracer synthesis, determined by X-ray crystallography. (lbl.gov)
  • We undertook the synthesis of structures that were condensates of heterocyclic methyl carbimidates with 2-chlorobenzenesulfonamide and 4-chloropyridine-3-sulfonamide. (springer.com)
  • His PhD research was carried out in structural crystallography at the University of Glasgow under Professor J. Monteath Robertson. (iucr.org)
  • LIMS based Dr Zatsepin , in collaboration with Associate Professor Begoña Heras' lab, will use X-ray crystallography to uncover the molecular structure and dynamics of a bacterial enzyme responsible for protein folding in bacteria. (edu.au)
  • Vinay S. Swaminathan, Ph.D., Wallenberg Molecular Medicine Fellow, Assistant Professor (Assoc. Senior Lect. (lu.se)
  • This is a book on the general theme of cell communication and it focused on the structure and function of key receptors and signalling molecules. (iospress.com)
  • Breakthroughs from the lab have included determining the auto-inhibited structures of several tyrosine kinases, including Src family kinases and elucidating the mechanism of allosteric activation of the kinase domains of the EGF receptor. (amgen.com)
  • Structural mechanism of molecular motors. (berkeley.edu)
  • Their findings created the new science of X-ray crystallography, making it possible to determine molecular structures from the crystal form of a compound. (nobelprize.org)
  • For more than 100 years, X-rays have been used in crystallography to determine the structure of molecules. (techbriefs.com)
  • Once we have a usable protein crystal-one that is large and perfect enough to examine-the primary technique we use to determine the protein molecular structures is x-ray crystallography. (nasa.gov)
  • It can also be used to observe protein structure in dynamics and solution, and to determine the averaged particle size, shape, and distribution, as well as surface-to-volume ratio. (lu.se)
  • density functional theory and molecular mechanics. (lu.se)
  • Now a new study reveals the molecular structure of the largest piece of the molecule-trafficking complex to be captured by x-ray crystallography to date. (sciencedaily.com)
  • In experiments to be published online in the Proceedings of the National Academy of Sciences , in September Nagy, Hoelz and colleagues provide the molecular specifics of the only piece of the Nup84 complex that remained unknown, furthering the structural characterization of this building module. (sciencedaily.com)
  • A fast and reliable software to predict Protein complex structures. (bio.net)
  • A method, starting with the structure of table salt, has developed into a very fine tool for looking into complex living systems. (irb.hr)
  • Complex 3 was structurally characterized by X-ray crystallography. (rsc.org)
  • The team developed a molecular technique to produce stable and highly-concentrated FAT10 with a high degree of purity. (asianage.com)
  • For soft matter, small-angle scattering is an ideal technique to study structures in the nanometre to micrometre range and get information on the inner structure of disordered or partially ordered materials that are difficult to crystallise. (lu.se)
  • New structures were confirmed by IR and NMR spectra as well as elemental analyses. (springer.com)
  • This article gives an overview of the information that can be obtained from individual PDB entries and from statistical analyses of sets of three-dimensional structures, of typical problems that arise during the analysis of carbohydrate three-dimensional structures and of the validation tools that are currently available to scientists to evaluate the quality of these structures. (iucr.org)
  • j , k ) Increasingly many tools have an integrated, interactive sequence viewer, which helps users understand the relationship between sequence and three-dimensional structure. (nature.com)
  • To help define the steps in iron release, we have determined the three-dimensional structure of the iron-free (apo) form of the recombinant N-lobe half-molecule of human serum transferrin (ApoTfN) by X-ray crystallography. (rcsb.org)