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TitleSuppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
Journal, issue, pagesJ. Mol. Biol., Vol. 363, Page 635-647, Year 2006
Publish dateAug 21, 2006 (structure data deposition date)
AuthorsCihlar, T. / He, G.X. / Liu, X. / Chen, J.M. / Hatada, M. / Swaminathan, S. / McDermott, M.J. / Yang, Z.Y. / Mulato, A.S. / Chen, X. ...Cihlar, T. / He, G.X. / Liu, X. / Chen, J.M. / Hatada, M. / Swaminathan, S. / McDermott, M.J. / Yang, Z.Y. / Mulato, A.S. / Chen, X. / Leavitt, S.A. / Stray, K.M. / Lee, W.A.
External linksJ. Mol. Biol. / PubMed:16979654
MethodsX-ray diffraction
Resolution1.5 - 1.55 Å
Structure data

PDB-2i4d:
Crystal structure of WT HIV-1 protease with GS-8373
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-2i4u:
HIV-1 protease with TMC-126
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-2i4v:
HIV-1 protease I84V, L90M with TMC126
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-2i4w:
HIV-1 protease WT with GS-8374
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-2i4x:
HIV-1 Protease I84V, L90M with GS-8374
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-QFI:
({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONIC ACID

ChemComp-HOH:
WATER

ChemComp-DJR:
(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE

ChemComp-KGQ:
DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / HIV-1 Protease / Protein inhibitor complex / HIV-1 protein inhibitor mutant / HIV-1 protease inhibitor / HIV-1 protease I84VL90M inhibitor

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