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Structure paper

TitleDe Novo Design of Integrin α5β1 Modulating Proteins to Enhance Biomaterial Properties.
Journal, issue, pagesAdv Mater, Vol. 37, Issue 34, Page e2500872, Year 2025
Publish dateJun 9, 2025
AuthorsXinru Wang / Jordi Guillem-Marti / Saurav Kumar / David S Lee / Daniel Cabrerizo-Aguado / Rachel Werther / Kevin Alexander Estrada Alamo / Yan Ting Zhao / Adam Nguyen / Irina Kopyeva / Buwei Huang / Jing Li / Yuxin Hao / Xinting Li / Aritza Brizuela-Velasco / Analisa Murray / Stacey Gerben / Anindya Roy / Cole A DeForest / Timothy Springer / Hannele Ruohola-Baker / Jonathan A Cooper / Melody G Campbell / Jose Maria Manero / Maria-Pau Ginebra / David Baker /
PubMed AbstractIntegrin α5β1 is crucial for cell attachment and migration in development and tissue regeneration, and α5β1 binding proteins can have considerable utility in regenerative medicine and next- ...Integrin α5β1 is crucial for cell attachment and migration in development and tissue regeneration, and α5β1 binding proteins can have considerable utility in regenerative medicine and next-generation therapeutics. We use computational protein design to create de novo α5β1-specific modulating miniprotein binders, called NeoNectins, that bind to and stabilize the open state of α5β1. When immobilized onto titanium surfaces and throughout 3D hydrogels, the NeoNectins outperform native fibronectin (FN) and RGD peptides in enhancing cell attachment and spreading, and NeoNectin-grafted titanium implants outperformed FN- and RGD-grafted implants in animal models in promoting tissue integration and bone growth. NeoNectins should be broadly applicable for tissue engineering and biomedicine.
External linksAdv Mater / PubMed:40489013 / PubMed Central
MethodsEM (single particle)
Resolution2.97 - 3.36 Å
Structure data

45655

9ckv

EMDB-45655, PDB-9ckv:
Cryo-EM structure of alpha5beta1 integrin in complex with NeoNectin
Method: EM (single particle) / Resolution: 3.19 Å

46902

9dia

EMDB-46902: Cryo-EM structure of alpha5beta1 integrin in complex with NeoNectin precursor 5.3
PDB-9dia: Cryo-EM structure of alpha5beta1 integrin in complex with NeoNectin candidate 2
Method: EM (single particle) / Resolution: 2.97 Å

47968

9ef2

EMDB-47968, PDB-9ef2:
Cryo-EM structure of alpha5beta1 integrin in complex with NeoNectin candidate 2, open conformation
Method: EM (single particle) / Resolution: 3.36 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-MN:
Unknown entry

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsSIGNALING PROTEIN / a5B1 / de novo / tissue regeneration / extracellular matrix protein

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