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Structure paper

TitleJoint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 5631-5635, Year 2013
Publish dateFeb 26, 2013 (structure data deposition date)
AuthorsWeber, I.T. / Waltman, M.J. / Mustyakimov, M. / Blakeley, M.P. / Keen, D.A. / Ghosh, A.K. / Langan, P. / Kovalevsky, A.Y.
External linksJ. Med. Chem. / PubMed:23772563
Methodsneutron diffraction / X-ray diffraction
Resolution2.01 Å
Structure data

PDB-4jec:
Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir
Method: NEUTRON DIFFRACTION / X-RAY DIFFRACTION / Resolution: 2.01 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-478:
{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER / protease inhibitor, medication*YM

ChemComp-DOD:
DEUTERATED WATER

Source
  • human immunodeficiency virus type 1
KeywordsHYDROLASE/HYDROLASE INHIBITOR / protease / hydrolysis / polypeptides / HYDROLASE-HYDROLASE INHIBITOR complex

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