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PDB: 490 件
7MA3
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HIV-1 Protease (I84V) in Complex with UMass2
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献HIV-1 Protease (I84V) in Complex with UMass2
To Be Published
1D4Y
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HIV-1 PROTEASE TRIPLE MUTANT/TIPRANAVIR COMPLEX
分子名称: N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, PROTEIN (HIV-1 PROTEASE)
著者Watenpaugh, K.D, Janakiraman, M.N.
登録日1999-10-06
公開日1999-10-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-based design of HIV protease inhibitors: sulfonamide-containing 5,6-dihydro-4-hydroxy-2-pyrones as non-peptidic inhibitors.
J.Med.Chem., 39, 1996
7MAK
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HIV-1 Protease (I84V) in Complex with PU7 (LR3-67)
分子名称: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献HIV-1 Protease in Complex with ligands
To Be Published
7MA5
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HIV-1 Protease (I84V) in Complex with UMass4
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献HIV-1 Protease (I84V) in Complex with UMass4
To Be Published
1ZSF
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Crystal Structure of Complex of a Hydroxyethylamine Inhibitor with HIV-1 Protease at 2.0A Resolution
分子名称: N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN
著者Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J.
登録日2005-05-24
公開日2006-04-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 62, 2006
7MA4
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HIV-1 Protease (I84V) in Complex with UMass3
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.989 Å)
主引用文献HIV-1 Protease (I84V) in Complex with UMass3
To Be Published
7MA6
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HIV-1 Protease (I84V) in Complex with UMass5
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献HIV-1 Protease (I84V) in Complex with UMass5
To Be Published
1ZBG
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Crystal structure of a complex of mutant hiv-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2
分子名称: CHLORIDE ION, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN, ...
著者Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J.
登録日2005-04-08
公開日2006-04-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Mutational Study of Pseudopeptide Inhibitor Binding to HIV-1 Protease; Analysis of Four X-ray Structures
To be Published
1HIV
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CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A DIHYDROETHYLENE-CONTAINING INHIBITOR: COMPARISONS WITH MOLECULAR MODELING
分子名称: 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium, HIV-1 PROTEASE
著者Thanki, N, Wlodawer, A.
登録日1992-02-12
公開日1993-10-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a complex of HIV-1 protease with a dihydroxyethylene-containing inhibitor: comparisons with molecular modeling.
Protein Sci., 1, 1992
1MRW
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Structure of HIV protease (Mutant Q7K L33I L63I) complexed with KNI-577
分子名称: (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide, POL polyprotein
著者Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
登録日2002-09-18
公開日2003-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
1MSM
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The HIV protease (mutant Q7K L33I L63I) complexed with KNI-764 (an inhibitor)
分子名称: (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, POL polyprotein
著者Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
登録日2002-09-19
公開日2003-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
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
分子名称: PROTEIN (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)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
著者Ala, P, Chang, C.H.
登録日1998-09-22
公開日1998-09-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
6J1V
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The structure of HLA-A*3003/RT313
分子名称: Beta-2-microglobulin, HLA-A*3003, RT313
著者Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
登録日2018-12-29
公開日2019-09-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
1A94
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STRUCTURAL BASIS FOR SPECIFICITY OF RETROVIRAL PROTEASES
分子名称: N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE
著者Wu, J, Adomat, J.M, Ridky, T.W, Louis, J.M, Leis, J, Harrison, R.W, Weber, I.T.
登録日1998-04-16
公開日1999-01-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for specificity of retroviral proteases.
Biochemistry, 37, 1998
1A30
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HIV-1 PROTEASE COMPLEXED WITH A TRIPEPTIDE INHIBITOR
分子名称: HIV-1 PROTEASE, TRIPEPTIDE GLU-ASP-LEU
著者Louis, J.M, Dyda, F, Nashed, N.T, Kimmel, A.R, Davies, D.R.
登録日1998-01-27
公開日1998-04-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Hydrophilic peptides derived from the transframe region of Gag-Pol inhibit the HIV-1 protease.
Biochemistry, 37, 1998
1A8K
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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
分子名称: HIV PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
著者Weber, I.T, Wu, J, Adomat, J, Harrison, R.W, Kimmel, A.R, Wondrak, E.M, Louis, J.M.
登録日1998-03-27
公開日1999-01-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
4FE6
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Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, HIV protease
著者Silva, A.M, Eissenstat, M, Guerassina, T, Gulnik, S, Afonina, E, Yu, B, Erickson, J, Ludke, D, Yokoe, H.
登録日2012-05-29
公開日2012-07-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Enamino-oxindole HIV protease inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
7UPJ
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HIV-1 PROTEASE/U101935 COMPLEX
分子名称: HIV-1 PROTEASE, N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
著者Watenpaugh, K.D, Janakiraman, M.N.
登録日1996-12-05
公開日1997-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
3DOX
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X-ray structure of HIV-1 protease in situ product complex
分子名称: A PEPTIDE SUBSTRATE-PIV, A PEPTIDE SUBSTRATE-SQNY, HIV-1 PROTEASE
著者Hosur, M.V, Ferrer, J.-L, Das, A, Prashar, V, Bihani, S.
登録日2008-07-07
公開日2008-09-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of HIV-1 protease in situ product complex
Proteins, 74, 2009
1MSN
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The HIV protease (mutant Q7K L33I L63I V82F I84V) complexed with KNI-764 (an inhibitor)
分子名称: (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, POL polyprotein
著者Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
登録日2002-09-19
公開日2003-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
1MRX
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Structure of HIV protease (Mutant Q7K L33I L63I V82F I84V ) complexed with KNI-577
分子名称: (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide, POL polyprotein
著者Vega, S, Kang, L.-W, Velazquez-Campoy, A, Kiso, Y, Amzel, L.M, Freire, E.
登録日2002-09-18
公開日2003-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
Proteins, 55, 2004
2O4N
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Crystal Structure of HIV-1 Protease (TRM Mutant) in Complex with Tipranavir
分子名称: GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, protease
著者Kang, L.W, Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M.
登録日2006-12-04
公開日2006-12-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations.
J.Virol., 81, 2007
1RL8
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Crystal structure of the complex of resistant strain of hiv-1 protease(v82a mutant) with ritonavir
分子名称: RITONAVIR, protease RETROPEPSIN
著者Rezacova, P, Brynda, J, Sedlacek, J, Konvalinka, J, Fabry, M, Horejsi, M.
登録日2003-11-25
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the complex of resistant strain of hiv-1 protease(v82a mutant) with ritonavir
To be Published, 2005
1ODY
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HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR LP-130
分子名称: 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, HIV-1 PROTEASE
著者Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A.
登録日1998-07-13
公開日1999-02-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
1ODX
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HIV-1 Proteinase mutant A71T, V82A
分子名称: HIV-1 PROTEASE, di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate
著者Kervinen, J, Thanki, N, Zdanov, A, Wlodawer, A.
登録日1996-09-16
公開日1997-04-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Analysis of the Native and Drug-Resistant HIV-1 Proteinases Complexed with an Aminodiol Inhibitor
Protein Pept.Lett., 3, 1996

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