Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 225 件
3NDU
DownloadVisualize
BU of 3ndu by Molmil
HIV-1 Protease Saquinavir:Ritonavir 1:5 complex structure
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, CHLORIDE ION, ...
著者Geremia, S, Olajuyigbe, F.M, Demitri, N.
登録日2010-06-08
公開日2011-07-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
6VOD
DownloadVisualize
BU of 6vod by Molmil
HIV-1 wild type protease with GRL-052-16A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand
分子名称: (1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2020-01-30
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies.
J.Med.Chem., 63, 2020
1SDU
DownloadVisualize
BU of 1sdu by Molmil
Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site.
分子名称: ACETATE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, SULFATE ION, ...
著者Mahalingam, B, Wang, Y.-F, Boross, P.I, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T.
登録日2004-02-14
公開日2004-05-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structures of HIV protease V82A and L90M mutants reveal changes in the indinavir-binding site
Eur.J.Biochem., 271, 2004
2QD6
DownloadVisualize
BU of 2qd6 by Molmil
HIV-1 Protease Mutant I50V with potent Antiviral inhibitor GRL-98065
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, ACETATE ION, CHLORIDE ION, ...
著者Wang, Y.F, Tie, Y, Boross, P.I, Tozser, J, Ghosh, A.K, Harrison, R.W, Weber, I.T.
登録日2007-06-20
公開日2008-04-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
J.Med.Chem., 50, 2007
3H5B
DownloadVisualize
BU of 3h5b by Molmil
Crystal structure of wild type HIV-1 protease with novel P1'-ligand GRL-02031
分子名称: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
著者Tie, Y, Wang, Y.F, Weber, I.T.
登録日2009-04-21
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Design of HIV-1 protease inhibitors with pyrrolidinones and oxazolidinones as novel P1'-ligands to enhance backbone-binding interactions with protease: synthesis, biological evaluation, and protein-ligand X-ray studies.
J.Med.Chem., 52, 2009
4HDF
DownloadVisualize
BU of 4hdf by Molmil
Crystal Structure of HIV-1 protease mutants V82A complexed with inhibitor GRL-0519
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease
著者Zhang, H, Wang, Y.-F, Weber, I.T.
登録日2012-10-02
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
3VF7
DownloadVisualize
BU of 3vf7 by Molmil
Crystal Structure of HIV-1 Protease Mutant L76V with novel P1'-Ligands GRL-02031
分子名称: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
著者Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T.
登録日2012-01-09
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
2IEN
DownloadVisualize
BU of 2ien by Molmil
Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017)
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ...
著者Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T.
登録日2006-09-19
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
6VOE
DownloadVisualize
BU of 6voe by Molmil
HIV-1 wild type protease with GRL-019-17A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand and a aminobenzothiazole(Abt)-based P2'-ligand
分子名称: (1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate, ACETATE ION, CHLORIDE ION, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2020-01-30
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies.
J.Med.Chem., 63, 2020
3BVB
DownloadVisualize
BU of 3bvb by Molmil
Cystal structure of HIV-1 Active Site Mutant D25N and inhibitor Darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ...
著者Liu, F, Weber, I.T.
登録日2008-01-05
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Effect of the Active Site D25N Mutation on the Structure, Stability, and Ligand Binding of the Mature HIV-1 Protease.
J.Biol.Chem., 283, 2008
1SDT
DownloadVisualize
BU of 1sdt by Molmil
Crystal structures of HIV protease V82A and L90M mutants reveal changes in indinavir binding site.
分子名称: CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, protease RETROPEPSIN
著者Mahalingam, B, Wang, Y.-F, Boross, P.I, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T.
登録日2004-02-14
公開日2004-05-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structures of HIV protease V82A and L90M mutants reveal changes in the indinavir-binding site
Eur.J.Biochem., 271, 2004
2A1E
DownloadVisualize
BU of 2a1e by Molmil
High resolution structure of HIV-1 PR with TS-126
分子名称: ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Demitri, N, Geremia, S, Randaccio, L, Wuerges, J, Benedetti, F, Berti, F, Dinon, F, Campaner, P, Tell, G.
登録日2005-06-20
公開日2006-02-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A potent HIV protease inhibitor identified in an epimeric mixture by high-resolution protein crystallography.
Chemmedchem, 1, 2006
2HC0
DownloadVisualize
BU of 2hc0 by Molmil
Structure of HIV protease 6X mutant in complex with AB-2.
分子名称: BROMIDE ION, Protease, [1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL (1R,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLCARBAMATE
著者Heaslet, H, Brik, A, Lin, Y.-C, Elder, J.H, Stout, C.D.
登録日2006-06-14
公開日2007-06-26
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of HIV Protease 6X Mutant in complex with AB-2
To be Published
4FLG
DownloadVisualize
BU of 4flg by Molmil
HIV-1 protease mutant I47V complexed with reaction intermediate
分子名称: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
著者Yu, X, Shen, C.H, Weber, I.T.
登録日2012-06-14
公開日2012-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
4J55
DownloadVisualize
BU of 4j55 by Molmil
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 with the potent antiviral inhibitor GRL-02031
分子名称: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, Protease
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2013-02-07
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1'-Pyrrolidinone or P2-Tris-tetrahydrofuran.
J.Med.Chem., 56, 2013
7N6T
DownloadVisualize
BU of 7n6t by Molmil
Crystal structure of inhibitor-free HIV-1 PRS17 revertant mutant PRS17 V48G
分子名称: Protease
著者Burnaman, S.H, Wang, Y.-F, Weber, I.T.
登録日2021-06-09
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17.
J.Mol.Graph.Model., 108, 2021
3TL9
DownloadVisualize
BU of 3tl9 by Molmil
crystal structure of HIV protease model precursor/Saquinavir complex
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ...
著者Agniswamy, J, Sayer, J, Weber, I, Louis, J.
登録日2011-08-29
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease.
Biochemistry, 51, 2012
2O4L
DownloadVisualize
BU of 2o4l by Molmil
Crystal Structure of HIV-1 Protease (Q7K, I50V) in Complex with Tipranavir
分子名称: CHLORIDE ION, 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, ...
著者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2023-08-30
実験手法X-RAY DIFFRACTION (1.33 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
2BB9
DownloadVisualize
BU of 2bb9 by Molmil
Structure of HIV1 protease and AKC4p_133a complex.
分子名称: 2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-[(3AS,8S,8AR)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D][1,3]OXAZOL-8-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease
著者Smith III, A.B, Charnley, A.K, Kuo, L.C, Munshi, S.
登録日2005-10-17
公開日2005-11-15
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains
Bioorg.Med.Chem.Lett., 16, 2006
2QD8
DownloadVisualize
BU of 2qd8 by Molmil
HIV-1 Protease Mutant I84V with potent Antiviral inhibitor GRL-98065
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, ACETATE ION, CHLORIDE ION, ...
著者Wang, Y.F, Tie, Y, Boross, P.I, Tozser, J, Ghosh, A.K, Harrison, R.W, Weber, I.T.
登録日2007-06-20
公開日2008-04-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Potent new antiviral compound shows similar inhibition and structural interactions with drug resistant mutants and wild type HIV-1 protease.
J.Med.Chem., 50, 2007
3TKG
DownloadVisualize
BU of 3tkg by Molmil
crystal structure of HIV model protease precursor/saquinavir complex
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ...
著者Agniswamy, J, Sayer, J, Weber, I, Louis, J.
登録日2011-08-26
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease.
Biochemistry, 51, 2012
3UCB
DownloadVisualize
BU of 3ucb by Molmil
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with Darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease
著者Agniswamy, J, Chen-Hsiang, S, Aniana, A, Sayer, J.M, Louis, J.M, Weber, I.T.
登録日2011-10-26
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements.
Biochemistry, 51, 2012
3QN8
DownloadVisualize
BU of 3qn8 by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor
分子名称: (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease
著者Lindemann, I, Heine, A, Klebe, G.
登録日2011-02-08
公開日2012-02-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.382 Å)
主引用文献Novel inhibitors for HIV-1 protease
To be Published
3QIH
DownloadVisualize
BU of 3qih by Molmil
HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor
分子名称: (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease, ...
著者Lindemann, I, Heine, A, Klebe, G.
登録日2011-01-27
公開日2012-02-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Novel inhibitors for HIV-1 protease
To be Published
7N6V
DownloadVisualize
BU of 7n6v by Molmil
Crystal structure of HIV-1 Protease multiple mutants PRS17 with Revertant mutation V48G bound to inhibitor Amprenavir
分子名称: GLYCEROL, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Burnaman, S.H, Wang, Y.-F, Weber, I.T.
登録日2021-06-09
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17.
J.Mol.Graph.Model., 108, 2021

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon