1A30
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HIV-1 PROTEASE COMPLEXED WITH A TRIPEPTIDE INHIBITOR
Descriptor:HIV-1 PROTEASE, TRIPEPTIDE GLU-ASP-LEU
Authors:Louis, J.M., Dyda, F., Nashed, N.T., Kimmel, A.R., Davies, D.R.
Deposit date:1998-01-27
Release date:1998-04-29
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hydrophilic peptides derived from the transframe region of Gag-Pol inhibit the HIV-1 protease.
Biochemistry, 37, 1998
1BV7
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COUNTERACTING HIV-1 PROTEASE DRUG RESISTANCE: STRUCTURAL ANALYSIS OF MUTANT PROTEASES COMPLEXED WITH XV638 AND SD146, CYCLIC UREA AMIDES WITH BROAD SPECIFICITIES
Descriptor:PROTEIN (HIV-1 PROTEASE COMPLEX WITH XV638 OF DUPONT MERCK) MUTANT (V82F)
Authors:Ala, P., Chang, C.H.
Deposit date:1998-09-22
Release date:1998-09-30
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
Biochemistry, 37, 1998
1BV9
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HIV-1 PROTEASE (I84V) COMPLEXED WITH XV638 OF DUPONT PHARMACEUTICALS
Descriptor:PROTEIN (HIV PROTEASE) MUTANT (I84V)
Authors:Ala, P., Chang, C.H.
Deposit date:1998-09-22
Release date:1998-09-30
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
Biochemistry, 37, 1998
1BVE
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HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR, 28 STRUCTURES
Descriptor:HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
Authors:Yamazaki, T., Hinck, A.P., Wang, Y.-X., Nicholson, L.K., Torchia, D.A., Wingfield, P., Stahl, S.J., Kaufman, J.D., Chang, C., Domaille, P.J., Lam, P.Y.S.
Deposit date:1996-01-16
Release date:1996-08-17
Modification date:2009-02-24
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the HIV-1 protease complexed with DMP323, a novel cyclic urea-type inhibitor, determined by nuclear magnetic resonance spectroscopy.
Protein Sci., 5, 1996
1BVG
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HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR MINIMIZED AVERAGE STRUCTURE
Descriptor:HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
Authors:Yamazaki, T., Hinck, A.P., Wang, Y.-X., Nicholson, L.K., Torchia, D.A., Wingfield, P., Stahl, S.J., Kaufman, J.D., Chang, C., Domaille, P.J., Lam, P.Y.S.
Deposit date:1996-01-16
Release date:1996-08-17
Modification date:2009-02-24
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the HIV-1 protease complexed with DMP323, a novel cyclic urea-type inhibitor, determined by nuclear magnetic resonance spectroscopy.
Protein Sci., 5, 1996
1BWA
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HIV-1 PROTEASE (V82F/I84V) DOUBLE MUTANT COMPLEXED WITH XV638 OF DUPONT PHARMACEUTICALS
Descriptor:PROTEIN (HIV-1 PROTEINASE) MUTANT (V82F, I84V)
Authors:Ala, P., Chang, C.H.
Deposit date:1998-09-22
Release date:1998-10-30
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
Biochemistry, 37, 1998
1BWB
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HIV-1 PROTEASE (V82F/I84V) DOUBLE MUTANT COMPLEXED WITH SD146 OF DUPONT PHARMACEUTICALS
Descriptor:PROTEIN (HIV-1 PROTEASE) MUTANT (V82F, I84V)
Authors:Ala, P., Chang, C.H.
Deposit date:1998-09-22
Release date:1998-09-30
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities.
Biochemistry, 37, 1998
1DMP
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STRUCTURE OF HIV-1 PROTEASE COMPLEX
Descriptor:HIV-1 PROTEASE, {[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([3-AMINO)PHENYL]METHYL-4,7-BIA(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
Authors:Chang, C.-H.
Deposit date:1996-11-01
Release date:1997-11-12
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improved cyclic urea inhibitors of the HIV-1 protease: synthesis, potency, resistance profile, human pharmacokinetics and X-ray crystal structure of DMP 450.
Chem.Biol., 3, 1996
1FB7
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CRYSTAL STRUCTURE OF AN IN VIVO HIV-1 PROTEASE MUTANT IN COMPLEX WITH SAQUINAVIR: INSIGHTS INTO THE MECHANISMS OF DRUG RESISTANCE
Descriptor:HIV-1 PROTEASE
Authors:Hong, L., Zhang, X.C., Hartsuck, J.A., Tang, J.
Deposit date:2000-07-14
Release date:2000-12-13
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of an in vivo HIV-1 protease mutant in complex with saquinavir: insights into the mechanisms of drug resistance.
Protein Sci., 9, 2000
1G6L
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1.9A CRYSTAL STRUCTURE OF TETHERED HIV-1 PROTEASE
Descriptor:HIV-1 PROTEASE
Authors:Pillai, B., Kannan, K.K., Hosur, M.V.
Deposit date:2000-11-07
Release date:2000-11-15
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9 A x-ray study shows closed flap conformation in crystals of tethered HIV-1 PR.
Proteins, 43, 2001
1HIV
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CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A DIHYDROETHYLENE-CONTAINING INHIBITOR: COMPARISONS WITH MOLECULAR MODELING
Descriptor:HIV-1 PROTEASE (HIV-1 PR) COMPLEX WITH U75875 (NOA-HIS-CHA-PSI[CH(OH)CH(OH)]VAL-ILE-APY)
Authors:Thanki, N., Wlodawer, A.
Deposit date:1992-02-12
Release date:1993-10-31
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a complex of HIV-1 protease with a dihydroxyethylene-containing inhibitor: comparisons with molecular modeling.
Protein Sci., 1, 1992
1HVH
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NONPEPTIDE CYCLIC CYANOGUANIDINES AS HIV PROTEASE INHIBITORS
Descriptor:HIV-1 PROTEASE, {[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE}
Authors:Chang, C.-H.
Deposit date:1997-12-13
Release date:1998-12-30
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Nonpeptide cyclic cyanoguanidines as HIV-1 protease inhibitors: synthesis, structure-activity relationships, and X-ray crystal structure studies.
J.Med.Chem., 41, 1998
1HVR
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RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS
Descriptor:HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (HIV-1) PROTEASE COMPLEXED WITH XK263 OF DUPONT MERCK
Authors:Chang, C.-H.
Deposit date:1994-02-14
Release date:1995-01-26
Modification date:2012-02-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors.
Science, 263, 1994
1HWR
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MOLECULAR RECOGNITION OF CYCLIC UREA HIV PROTEASE INHIBITORS
Descriptor:HIV-1 PROTEASE, [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
Authors:Chang, C.-H.
Deposit date:1998-03-20
Release date:1999-03-23
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular recognition of cyclic urea HIV-1 protease inhibitors.
J.Biol.Chem., 273, 1998
1HXB
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HIV-1 PROTEINASE COMPLEXED WITH RO 31-8959
Descriptor:HIV-1 PROTEASE, 2-CARBONYLQUINOLINE, ASPARAGINE, PHENYLALANINOL GROUP, 2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, TERTIARY-BUTYLAMINO GROUP
Authors:Graves, B.J., Hatada, M.H., Crowther, R.L.
Deposit date:1996-09-13
Release date:1997-03-12
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel binding mode of highly potent HIV-proteinase inhibitors incorporating the (R)-hydroxyethylamine isostere.
J.Med.Chem., 34, 1991
1LV1
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CRYSTAL STRUCTURE ANALYSIS OF THE NON-ACTIVE SITE MUTANT OF TETHERED HIV-1 PROTEASE TO 2.1A RESOLUTION
Descriptor:Tethered HIV-1 protease(E.C.3.4.23.16)
Authors:Kumar, M., Kannan, K.K., Hosur, M.V., Bhavesh, N.S., Chatterjee, A., Mittal, R., Hosur, R.V.
Deposit date:2002-05-24
Release date:2002-06-19
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Effects of remote mutation on the autolysis of HIV-1 PR: X-ray and NMR investigations.
Biochem.Biophys.Res.Commun., 294, 2002
1ODW
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NATIVE HIV-1 PROTEINASE
Descriptor:HIV-1 PROTEASE, TERTIARY-BUTOXYFORMIC ACID, PHENYLALANINOL GROUP, DIMETHYLAMINE
Authors:Thanki, N., Kervinen, J., Wlodawer, A.
Deposit date:1996-09-16
Release date:1997-04-01
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of the Native and Drug-Resistant HIV-1 Proteinases Complexed with an Aminodiol Inhibitor
Protein Pept.Lett., 3, 1996
1ODX
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HIV-1 PROTEINASE MUTANT A71T, V82A
Descriptor:HIV-1 PROTEASE, TERTIARY-BUTOXYFORMIC ACID, PHENYLALANINOL GROUP, DIMETHYLAMINE
Authors:Kervinen, J., Thanki, N., Zdanov, A., Wlodawer, A.
Deposit date:1996-09-16
Release date:1997-04-01
Modification date:2011-07-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Analysis of the Native and Drug-Resistant HIV-1 Proteinases Complexed with an Aminodiol Inhibitor
Protein Pept.Lett., 3, 1996
1ODY
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HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR LP-130
Descriptor:HIV-1 PROTEASE, 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE
Authors:Kervinen, J., Lubkowski, J., Zdanov, A., Wlodawer, A., Gustchina, A.
Deposit date:1998-07-13
Release date:1999-02-16
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV.
Protein Sci., 7, 1998
1QBR
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HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
Descriptor:HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
Authors:Ala, P., Chang, C.-H.
Deposit date:1997-04-25
Release date:1997-10-15
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV.
J.Med.Chem., 40, 1997
1QBS
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HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
Descriptor:HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
Authors:Ala, P., Chang, C.-H.
Deposit date:1997-04-25
Release date:1997-10-15
Modification date:2012-02-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas.
J.Med.Chem., 39, 1996
1QBT
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HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
Descriptor:HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]
Authors:Ala, P., Chang, C.-H.
Deposit date:1997-04-25
Release date:1997-10-15
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV.
J.Med.Chem., 40, 1997
1QBU
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HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
Descriptor:HIV-1 PROTEASE, [4R--(1ALPHA,5ALPHA,7BETA)]-3-[(CYCLOPROPHYLMETHYL)HEXAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPIN]METHYL-2-THIAZOLYLBENZAMIDE
Authors:Ala, P., Chang, C.-H.
Deposit date:1997-04-25
Release date:1997-10-15
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV.
J.Med.Chem., 40, 1997
2FDE
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WILD TYPE HIV PROTEASE BOUND WITH GW0385
Descriptor:protease (E.C.3.4.23.16)
Authors:Xu, R.X.
Deposit date:2005-12-13
Release date:2006-02-21
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385.
Bioorg.Med.Chem.Lett., 16, 2006
2NPH
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CRYSTAL STRUCTURE OF HIV1 PROTEASE IN SITU PRODUCT COMPLEX
Descriptor:PROTEASE RETROPEPSIN (E.C.3.4.23.16), PEPTIDE FRAGMENTS
Authors:Hosur, M.V., Das, A., Prashar, V.
Deposit date:2006-10-27
Release date:2006-12-19
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of HIV-1 protease in situ product complex and observation of a low-barrier hydrogen bond between catalytic aspartates
Proc.Natl.Acad.Sci.Usa, 103, 2006
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