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TitleOne-shot design of functional protein binders with BindCraft.
Journal, issue, pagesNature, Vol. 646, Page 483-492, Year 2025
Publish dateNov 3, 2024 (structure data deposition date)
AuthorsPacesa, M. / Nickel, L. / Schellhaas, C. / Schmidt, J. / Pyatova, E. / Kissling, L. / Barendse, P. / Choudhury, J. / Kapoor, S. / Alcaraz-Serna, A. ...Pacesa, M. / Nickel, L. / Schellhaas, C. / Schmidt, J. / Pyatova, E. / Kissling, L. / Barendse, P. / Choudhury, J. / Kapoor, S. / Alcaraz-Serna, A. / Cho, Y. / Ghamary, K.H. / Vinue, L. / Yachnin, B.J. / Wollacott, A.M. / Buckley, S. / Westphal, A.H. / Lindhoud, S. / Georgeon, S. / Goverde, C.A. / Hatzopoulos, G.N. / Gonczy, P. / Muller, Y.D. / Schwank, G. / Swarts, D.C. / Vecchio, A.J. / Schneider, B.L. / Ovchinnikov, S. / Correia, B.E.
External linksNature / PubMed:40866699
MethodsX-ray diffraction
Resolution2.22 - 3.1 Å
Structure data

PDB-9hac:
De novo designed BBF-14 beta barrel with computationally designed BBF-14_b4 binder
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-9had:
Der f 21 dust mite allergen with computationally designed DerF21_b10 binder
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-9hae:
Dust mite allergen Der f 7 with computationally designed DerF7_b2 binder
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

PDB-9haf:
Dust mite allergen Der f 7 with computationally designed DerF7_b2 binder
Method: X-RAY DIFFRACTION / Resolution: 2.99 Å

Chemicals

ChemComp-P6G:
HEXAETHYLENE GLYCOL / precipitant*YM

ChemComp-K:
Unknown entry

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-NA:
Unknown entry

Source
  • synthetic construct (others)
  • dermatophagoides farinae (American house dust mite)
KeywordsDE NOVO PROTEIN / beta barrel / BBF-14 / computational / binder / dust mite / allergen / Der f 21 / de novo / der f 7

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