Structural Determination
Structural Determination - Related Videos
22:00
Crystallizing Membrane Proteins for Structure Determination using Lipidic Mesophases
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Cited by 48 •
2010
Herein is described the procedure implemented in the Caffrey Membrane Structural and Functional Biology Group to set up manually crystallization trials of membrane proteins in lipidic mesophases.
01:29
Determination of Crystal Structures
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2026
In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...
14:44
Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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Cited by 4 •
2013
The NMR-solution structure of a metallochaperone model peptide with Cu (I) was determined, and a detailed protocol from sample preparation and 1D and 2D data collection to a three-dimensional structure is described.
09:55
From Constructs to Crystals – Towards Structure Determination of β-barrel Outer Membrane Proteins
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Cited by 8 •
2016
β-barrel outer membrane proteins (OMPs) serve many functions within the outer membranes of Gram-negative bacteria, mitochondria, and chloroplasts. Here, we hope to alleviate a known bottleneck in structural studies by presenting protocols for the production of β-barrel OMPs in sufficient quantities for structure determination by X-ray crystallography or NMR spectroscopy.
11:27
A Guide to Production, Crystallization, and Structure Determination of Human IKK1/α
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Cited by 2 •
2018
IκB Kinase 1/α (IKK1/α CHUK) is a Ser/Thr protein kinase that is involved in a myriad of cellular activities primarily through activation of NF-κB transcription factors. Here, we describe the main steps necessary for the production and crystal structure determination of this protein.
FAQs
Structural information connects molecular shape with biological activity by locating active sites, binding interfaces, and regions that change conformation. These features help explain how a protein, nucleic acid, or complex interacts with other molecules and carries out a cellular process. The resulting interpretation provides a structural basis for studying mechanism and function beyond a molecule’s name or sequence.
The experimental signal depends on how the molecule interacts with the selected probe. X-ray crystallography, nuclear magnetic resonance spectroscopy, and cryo-electron microscopy therefore represent complementary routes to structural evidence rather than interchangeable labels for one measurement. Together, these approaches support investigation of molecular arrangement, interactions, and conformational changes from different experimental perspectives.
Computational model building translates experimental measurements into a proposed three-dimensional molecular model, while validation checks whether that interpretation is consistent with the evidence. This stage is essential because measurements alone do not automatically provide a complete biological explanation. A validated model can then be examined for active sites, binding interfaces, and conformational changes during mechanistic studies.
A structural determination workflow begins by selecting a biological molecule or complex, collecting measurements with an appropriate method, and using computational model building to interpret them. Validation follows before researchers draw biological conclusions. This sequence links experimental observation to a checked structural model and then to questions about molecular interactions, function, or conformational change.
Researchers apply structural determination when molecular detail can clarify biological function or interactions. Major uses include drug discovery, protein engineering, diagnosis of molecular defects, and investigation of mechanisms underlying cellular processes. In each case, structural information can focus attention on active sites, binding interfaces, or altered conformations that are relevant to the biological problem under study.
In biology, structures of proteins, nucleic acids, and biomolecular complexes provide a framework for connecting molecular architecture with cellular processes. A structure can reveal how components meet at a binding interface or how a conformational change may relate to function. This context supports mechanistic interpretation of molecular interactions rather than treating cellular activity as an unexplained outcome.