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Structure paper

TitleX-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5'-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy
Journal, issue, pagesAdv Ther, Year 2019
Publish dateJul 4, 2019 (structure data deposition date)
AuthorsBhattarai, S. / Pippel, J. / Meyer, A. / Freundlieb, M. / Schmies, C. / Abdelrahman, A. / Fiene, A. / Lee, S.Y. / Zimmermann, H. / El-Tayeb, A. ...Bhattarai, S. / Pippel, J. / Meyer, A. / Freundlieb, M. / Schmies, C. / Abdelrahman, A. / Fiene, A. / Lee, S.Y. / Zimmermann, H. / El-Tayeb, A. / Yegutkin, G.G. / Strater, N. / Muller, C.E.
External linksAdv Ther / Search PubMed
MethodsX-ray diffraction
Resolution1.85 - 2.05 Å
Structure data

PDB-6s7f:
Human CD73 (5'-nucleotidase) in complex with PSB12379 (an AOPCP derivative) in the closed state
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-6s7h:
Human CD73 (5'-nucleotidase) in complex with PSB12489 (an AOPCP derivative) in the closed state
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-KYK:
N6-benzyl-(alpha,beta)-methylene-ADP

ChemComp-HOH:
WATER

ChemComp-KYW:
(N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP

Source
  • homo sapiens (human)
KeywordsHYDROLASE / nucleotide analog / eN / 5NT / inhibitor / complex

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