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1A30
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1a30
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
1A8G
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1a8g
HIV-1 PROTEASE IN COMPLEX WITH SDZ283-910
Descriptor:HIV-1 PROTEASE, INHIBITOR SDZ283-910
Authors:Kallen, J., Billich, A., Scholz, D., Auer, M., Kungl, A.
Deposit date:1998-03-24
Release date:1998-07-15
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structure and conformational dynamics of the HIV-1 protease in complex with the inhibitor SDZ283-910: agreement of time-resolved spectroscopy and molecular dynamics simulations.
J.Mol.Biol., 286, 1999
1A8K
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1a8k
CRYSTALLOGRAPHIC ANALYSIS OF HUMAN IMMUNODEFICIENCY VIRUS 1 PROTEASE WITH AN ANALOG OF THE CONSERVED CA-P2 SUBSTRATE: INTERACTIONS WITH FREQUENTLY OCCURRING GLUTAMIC ACID RESIDUE AT P2' POSITION OF SUBSTRATES
Descriptor:HIV PROTEASE, PEPTIDE
Authors:Weber, I.T., Wu, J., Adomat, J., Harrison, R.W., Kimmel, A.R., Wondrak, E.M., Louis, J.M.
Deposit date:1998-03-27
Release date:1999-01-13
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic analysis of human immunodeficiency virus 1 protease with an analog of the conserved CA-p2 substrate -- interactions with frequently occurring glutamic acid residue at P2' position of substrates.
Eur.J.Biochem., 249, 1997
1A94
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1a94
STRUCTURAL BASIS FOR SPECIFICITY OF RETROVIRAL PROTEASES
Descriptor:HIV PROTEASE, PEPTIDE
Authors:Wu, J., Adomat, J.M., Ridky, T.W., Louis, J.M., Leis, J., Harrison, R.W., Weber, I.T.
Deposit date:1998-04-16
Release date:1999-01-13
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for specificity of retroviral proteases.
Biochemistry, 37, 1998
1A9M
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1a9m
G48H MUTANT OF HIV-1 PROTEASE IN COMPLEX WITH A PEPTIDIC INHIBITOR U-89360E
Descriptor:HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
Authors:Hong, L., Zhang, X.-J., Foundling, S., Hartsuck, J.A., Tang, J.
Deposit date:1998-04-08
Release date:1998-06-17
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a G48H mutant of HIV-1 protease explains how glycine-48 replacements produce mutants resistant to inhibitor drugs.
FEBS Lett., 420, 1997
1AAQ
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1aaq
HYDROXYETHYLENE ISOSTERE INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS-1 PROTEASE: STRUCTURE-ACTIVITY ANALYSIS USING ENZYME KINETICS, X-RAY CRYSTALLOGRAPHY, AND INFECTED T-CELL ASSAYS
Descriptor:HIV-1 PROTEASE COMPLEXED WITH HYDROXYETHYLENE ISOSTERE
Authors:Lewis, M.
Deposit date:1992-04-13
Release date:1994-06-22
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Hydroxyethylene isostere inhibitors of human immunodeficiency virus-1 protease: structure-activity analysis using enzyme kinetics, X-ray crystallography, and infected T-cell assays.
Biochemistry, 31, 1992
1AID
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1aid
STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN
Descriptor:HUMAN IMMUNODEFICIENCY VIRUS PROTEASE, 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL
Authors:Rutenber, E.E., Fauman, E.B., Keenan, R.J., Stroud, R.M.
Deposit date:1997-04-16
Release date:1997-10-15
Modification date:2012-02-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design.
J.Biol.Chem., 268, 1993
1AJV
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1ajv
HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC SULFAMIDE INHIBITOR AHA006
Descriptor:HIV-1 PROTEASE, 2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-4,5-DIOL
Authors:Backbro, K., Unge, T.
Deposit date:1997-05-11
Release date:1997-08-20
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor.
J.Med.Chem., 40, 1997
1AJX
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1ajx
HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC UREA INHIBITOR AHA001
Descriptor:HIV-1 PROTEASE, AHA001
Authors:Backbro, K., Unge, T.
Deposit date:1997-05-11
Release date:1997-09-17
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor.
J.Med.Chem., 40, 1997
1AXA
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1axa
ACTIVE-SITE MOBILITY IN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AS DEMONSTRATED BY CRYSTAL STRUCTURE OF A28S MUTANT
Descriptor:HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
Authors:Hong, L., Hartsuck, J.A., Foundling, S., Ermolieff, J., Tang, J.
Deposit date:1997-10-13
Release date:1998-04-15
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Active-site mobility in human immunodeficiency virus, type 1, protease as demonstrated by crystal structure of A28S mutant.
Protein Sci., 7, 1998
1AZ5
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1az5
UNLIGANDED SIV PROTEASE STRUCTURE IN AN "OPEN" CONFORMATION
Descriptor:SIV PROTEASE
Authors:Rose, R.B., Craik, C.S., Stroud, R.M.
Deposit date:1997-11-25
Release date:1998-05-27
Modification date:2011-11-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Domain flexibility in retroviral proteases: structural implications for drug resistant mutations.
Biochemistry, 37, 1998
1B6J
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1b6j
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 1
Descriptor:RETROPEPSIN (E.C.3.4.23.16)
Authors:Martin, J.L., Begun, J., Schindeler, A., Wickramasinghe, W.A., Alewood, D., Alewood, P.F., Bergman, D.A., Brinkworth, R.I., Abbenante, G., March, D.R., Reid, R.C., Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Modification date:2013-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B6K
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1b6k
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5
Descriptor:RETROPEPSIN (E.C.3.4.23.16)
Authors:Martin, J.L., Begun, J., Schindeler, A., Wickramasinghe, W.A., Alewood, D., Alewood, P.F., Bergman, D.A., Brinkworth, R.I., Abbenante, G., March, D.R., Reid, R.C., Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B6L
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1b6l
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4
Descriptor:RETROPEPSIN (E.C.3.4.23.16)
Authors:Martin, J.L., Begun, J., Schindeler, A., Wickramasinghe, W.A., Alewood, D., Alewood, P.F., Bergman, D.A., Brinkworth, R.I., Abbenante, G., March, D.R., Reid, R.C., Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Modification date:2009-09-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B6M
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1b6m
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6
Descriptor:RETROPEPSIN (E.C.3.4.23.16)
Authors:Martin, J.L., Begun, J., Schindeler, A., Wickramasinghe, W.A., Alewood, D., Alewood, P.F., Bergman, D.A., Brinkworth, R.I., Abbenante, G., March, D.R., Reid, R.C., Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Modification date:2012-07-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1B6P
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1b6p
HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7
Descriptor:RETROPEPSIN (E.C.3.4.23.16)
Authors:Martin, J.L., Begun, J., Schindeler, A., Wickramasinghe, W.A., Alewood, D., Alewood, P.F., Bergman, D.A., Brinkworth, R.I., Abbenante, G., March, D.R., Reid, R.C., Fairlie, D.P.
Deposit date:1999-01-17
Release date:2000-01-07
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease.
Biochemistry, 38, 1999
1BAI
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1bai
CRYSTAL STRUCTURE OF ROUS SARCOMA VIRUS PROTEASE IN COMPLEX WITH INHIBITOR
Descriptor:ROUS SARCOMA VIRUS PROTEASE, INHIBITOR
Authors:Wu, J., Adomat, J.M., Ridky, T.W., Louis, J.M., Leis, J., Harrison, R.W., Weber, I.T.
Deposit date:1998-04-17
Release date:1999-01-13
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for specificity of retroviral proteases.
Biochemistry, 37, 1998
1BDL
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1bdl
HIV-1 (2:31-37) PROTEASE COMPLEXED WITH INHIBITOR SB203386
Descriptor:HIV-1 PROTEASE, (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE
Authors:Swairjo, M.A., Abdel-Meguid, S.S.
Deposit date:1998-05-10
Release date:1998-08-12
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural role of the 30's loop in determining the ligand specificity of the human immunodeficiency virus protease.
Biochemistry, 37, 1998
1BDQ
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1bdq
HIV-1 (2:31-37, 47, 82) PROTEASE COMPLEXED WITH INHIBITOR SB203386
Descriptor:HIV-1 PROTEASE, (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE
Authors:Swairjo, M.A., Abdel-Meguid, S.S.
Deposit date:1998-05-10
Release date:1998-08-12
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural role of the 30's loop in determining the ligand specificity of the human immunodeficiency virus protease.
Biochemistry, 37, 1998
1BDR
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1bdr
HIV-1 (2: 31, 33-37) PROTEASE COMPLEXED WITH INHIBITOR SB203386
Descriptor:HIV-1 PROTEASE, (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE
Authors:Swairjo, M.A., Abdel-Meguid, S.S.
Deposit date:1998-05-10
Release date:1998-10-14
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural role of the 30's loop in determining the ligand specificity of the human immunodeficiency virus protease.
Biochemistry, 37, 1998
1BV7
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1bv7
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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1bv9
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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1bve
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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1bvg
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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1bwa
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
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