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TitleSynthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 44, Page 155-169, Year 2001
Publish dateOct 20, 2000 (structure data deposition date)
AuthorsSchaal, W. / Karlsson, A. / Ahlsen, G. / Lindberg, J. / Andersson, H.O. / Danielson, U.H. / Classon, B. / Unge, T. / Samuelsson, B. / Hulten, J. ...Schaal, W. / Karlsson, A. / Ahlsen, G. / Lindberg, J. / Andersson, H.O. / Danielson, U.H. / Classon, B. / Unge, T. / Samuelsson, B. / Hulten, J. / Hallberg, A. / Karlen, A.
External linksJ. Med. Chem. / PubMed:11170625
MethodsX-ray diffraction
Resolution1.8 - 1.95 Å
Structure data

PDB-1g2k:
HIV-1 PROTEASE WITH CYCLIC SULFAMIDE INHIBITOR, AHA047
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-1g35:
CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR, AHA024
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-NM1:
3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE

ChemComp-HOH:
WATER

ChemComp-AHF:
2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / HIV / Protease Inhibitors / Protein-inhibitor complex

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