Sparks of function by de novo protein design

AE Chu, T Lu, PS Huang - Nature biotechnology, 2024 - nature.com
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 …

[HTML][HTML] Representing structures of the multiple conformational states of proteins

TA Ramelot, R Tejero, GT Montelione - Current Opinion in Structural …, 2023 - Elsevier
Biomolecules exhibit dynamic behavior that single-state models of their structures cannot
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 …

[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 …

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 …

[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 …

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 …

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 …

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 …