Sparks of function by de novo protein design
Abstract Information in proteins flows from sequence to structure to function, with each step
causally driven by the preceding one. Protein design is founded on inverting this process …
causally driven by the preceding one. Protein design is founded on inverting this process …
[HTML][HTML] Representing structures of the multiple conformational states of proteins
Biomolecules exhibit dynamic behavior that single-state models of their structures cannot
fully capture. We review some recent advances for investigating multiple conformations of …
fully capture. We review some recent advances for investigating multiple conformations of …
[HTML][HTML] Comprehensive encoding of conformational and compositional protein structural ensembles through the mmCIF data structure
SA Wankowicz, JS Fraser - IUCrJ, 2024 - ncbi.nlm.nih.gov
In the folded state, biomolecules exchange between multiple conformational states crucial
for their function. However, most structural models derived from experiments and …
for their function. However, most structural models derived from experiments and …
[PDF][PDF] High-resolution double vision of the allosteric phosphatase PTP1B
S Sharma, T Skaist Mehlman… - … Section F: Structural …, 2024 - journals.iucr.org
Protein tyrosine phosphatase 1B (PTP1B) plays important roles in cellular homeostasis and
is a highly validated therapeutic target for multiple human ailments, including diabetes …
is a highly validated therapeutic target for multiple human ailments, including diabetes …
A dataset of alternately located segments in protein crystal structures
AA Rosenberg, A Marx, AM Bronstein - Scientific Data, 2024 - nature.com
Abstract Protein Data Bank (PDB) files list the relative spatial location of atoms in a protein
structure as the final output of the process of fitting and refining to experimentally determined …
structure as the final output of the process of fitting and refining to experimentally determined …
[PDF][PDF] FLEXR GUI: a graphical user interface for multi-conformer modeling of proteins
TR Stachowski, M Fischer - Journal of Applied Crystallography, 2024 - journals.iucr.org
Proteins are well knownshapeshifters' which change conformation to function. In
crystallography, multiple conformational states are often present within the crystal and the …
crystallography, multiple conformational states are often present within the crystal and the …
A snapshot love story: what serial crystallography has done and will do for us
A Henkel, D Oberthür - Biological Crystallography, 2024 - journals.iucr.org
Serial crystallography, born from groundbreaking experiments at the Linac Coherent Light
Source in 2009, has evolved into a pivotal technique in structural biology. Initially pioneered …
Source in 2009, has evolved into a pivotal technique in structural biology. Initially pioneered …
High-resolution double vision of the archetypal protein tyrosine phosphatase
S Sharma, T Mehlman, RS Sagabala, B Boivin… - bioRxiv, 2023 - biorxiv.org
Protein tyrosine phosphatase 1B (PTP1B) plays important roles in cellular homeostasis and
is a highly validated therapeutic target for multiple human ailments including diabetes …
is a highly validated therapeutic target for multiple human ailments including diabetes …
Making sense of chaos: uncovering the mechanisms of conformational entropy
S Wankowicz, J Fraser - 2023 - chemrxiv.org
By converting a disordered polymer into a globular structure, protein folding reduces many
conformational degrees of freedom, resulting in a significant conformational entropy penalty …
conformational degrees of freedom, resulting in a significant conformational entropy penalty …