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Structure paper

TitleComputational design of highly signalling-active membrane receptors through solvent-mediated allosteric networks.
Journal, issue, pagesNat. Chem., Vol. 17, Page 429-438, Year 2025
Publish dateOct 6, 2023 (structure data deposition date)
AuthorsChen, K.M. / Lai, J.K. / Rudden, L.S.P. / Wang, J. / Russell, A.M. / Conners, K. / Rutter, M.E. / Condon, B. / Tung, F. / Kodandapani, L. ...Chen, K.M. / Lai, J.K. / Rudden, L.S.P. / Wang, J. / Russell, A.M. / Conners, K. / Rutter, M.E. / Condon, B. / Tung, F. / Kodandapani, L. / Chau, B. / Zhao, X. / Benach, J. / Baker, K. / Hembre, E.J. / Barth, P.
External linksNat. Chem. / PubMed:39849110
MethodsX-ray diffraction
Resolution3.9 Å
Structure data

PDB-8ugw:
Computational design of highly signaling active membrane receptors through de novo solvent-mediated allosteric networks
Method: X-RAY DIFFRACTION / Resolution: 3.9 Å

Chemicals

ChemComp-NGI:
2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE / agonist*YM

Source
  • tequatrovirus t4
  • homo sapiens (human)
KeywordsMEMBRANE PROTEIN / The adenosine a2a receptor

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