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Structure paper

TitleUltrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 121, Page e2310677121-e2310677121, Year 2024
Publish dateApr 6, 2023 (structure data deposition date)
AuthorsKitamura, S. / Lin, T.H. / Lee, C.D. / Takamura, A. / Kadam, R.U. / Zhang, D. / Zhu, X. / Dada, L. / Nagai, E. / Yu, W. ...Kitamura, S. / Lin, T.H. / Lee, C.D. / Takamura, A. / Kadam, R.U. / Zhang, D. / Zhu, X. / Dada, L. / Nagai, E. / Yu, W. / Yao, Y. / Sharpless, K.B. / Wilson, I.A. / Wolan, D.W.
External linksProc. Natl. Acad. Sci. USA / PubMed:38753503
MethodsX-ray diffraction
Resolution2.05 - 3.11 Å
Structure data

PDB-8sd2:
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4
Method: X-RAY DIFFRACTION / Resolution: 2.81 Å

PDB-8sd4:
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7
Method: X-RAY DIFFRACTION / Resolution: 3.11 Å

PDB-8vql:
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S prime
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

PDB-8vqm:
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R prime
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-8vqn:
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-8vqq:
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

Chemicals

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

ChemComp-NO3:
NITRATE ION


ChemComp, No image

ChemComp-FIE:
Unknown entry

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-ZW4:
Unknown entry

PDB-1add:
A PRE-TRANSITION STATE MIMIC OF AN ENZYME: X-RAY STRUCTURE OF ADENOSINE DEAMINASE WITH BOUND 1-DEAZA-ADENOSINE AND ZINC-ACTIVATED WATER

PDB-1adu:
EARLY E2A DNA-BINDING PROTEIN

PDB-1adv:
EARLY E2A DNA-BINDING PROTEIN

PDB-1adc:
CRYSTALLOGRAPHIC STUDIES OF ISOSTERIC NAD ANALOGUES BOUND TO ALCOHOL DEHYDROGENASE: SPECIFICITY AND SUBSTRATE BINDING IN TWO TERNARY COMPLEXES

Source
  • influenza a virus (strain a/puerto rico/8/1934 h1n1)
  • influenza a virus (a/puerto rico/8/1934(h1n1))
KeywordsANTIVIRAL PROTEIN / influenza virus / fusion inhibitor / VIRAL PROTEIN / H1N1 / Antibody / Hemagglutinin

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