Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

4EJL
DownloadVisualize
BU of 4ejl by Molmil
Apo HIV Protease (PR) dimer in closed form with fragment 1F1-N in the outside/top of flap
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2012-04-06
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.445 Å)
主引用文献Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4EJ8
DownloadVisualize
BU of 4ej8 by Molmil
Apo HIV Protease (PR) dimer in closed form with fragment 1F1 in the outside/top of flap
分子名称: 1,2-ETHANEDIOL, 1H-indole-6-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2012-04-06
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.347 Å)
主引用文献Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4FL8
DownloadVisualize
BU of 4fl8 by Molmil
HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate
分子名称: CHLORIDE ION, GLYCEROL, HIV-1 protease, ...
著者Tie, Y.F, Shen, C.H, Weber, I.T.
登録日2012-06-14
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
3DJK
DownloadVisualize
BU of 3djk by Molmil
Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0255A
分子名称: (5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ...
著者Wang, Y.F, Weber, I.T.
登録日2008-06-23
公開日2008-09-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies
J.Med.Chem., 51, 2008
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
3EKT
DownloadVisualize
BU of 3ekt by Molmil
Crystal Structure of the inhibitor Darunavir (DRV) in complex with a multi-drug resistant HIV-1 protease variant (L10F/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation.)
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, ACETATE ION, PHOSPHATE ION, ...
著者Prabu-Jeyabalan, M, King, N.M, Bandaranayake, R.M.
登録日2008-09-19
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EKX
DownloadVisualize
BU of 3ekx by Molmil
Crystal structure of the wild-type HIV-1 protease with the inhibitor, Nelfinavir
分子名称: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2008-09-19
公開日2009-09-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
4EQJ
DownloadVisualize
BU of 4eqj by Molmil
Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate RT-RH
分子名称: 1,2-ETHANEDIOL, GLYCEROL, protease, ...
著者Schiffer, C.A, Mittal, S.
登録日2012-04-19
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
3BXS
DownloadVisualize
BU of 3bxs by Molmil
Crystal Structures Of Highly Constrained Substrate And Hydrolysis Products Bound To HIV-1 Protease. Implications For Catalytic Mechanism
分子名称: (9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid, Protease, SULFATE ION
著者Tyndall, J.D, Pattenden, L.K, Reid, R.C, Hu, S.H, Alewood, D, Alewood, P.F, Walsh, T, Fairlie, D.P, Martin, J.L.
登録日2008-01-14
公開日2008-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Highly Constrained Substrate and Hydrolysis Products Bound to HIV-1 Protease. Implications for the Catalytic Mechanism
Biochemistry, 47, 2008
4GZF
DownloadVisualize
BU of 4gzf by Molmil
Multi-drug resistant HIV-1 protease 769 variant with reduced LrF peptide
分子名称: LrF peptide, Protease
著者Dewdney, T.G, Wang, Y, Kovari, I.A, Brunzelle, J.S, Reiter, S.J, Kovari, L.C.
登録日2012-09-06
公開日2013-10-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
4F74
DownloadVisualize
BU of 4f74 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA.
分子名称: N terminal product of substrate MA-CA, Protease
著者Schiffer, C.A, Mittal, S, Nalam, M.N.L.
登録日2012-05-15
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA.
To be Published
3EKQ
DownloadVisualize
BU of 3ekq by Molmil
Crystal structure of inhibitor saquinavir (SQV) in complex with multi-drug resistant HIV-1 protease (L63P/V82T/I84V) (referred to as ACT in paper)
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, PHOSPHATE ION, Protease
著者Prabu-Jeyabalan, M, King, N.M, Schiffer, C.A, Nalivaika, E.
登録日2008-09-19
公開日2009-09-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EM6
DownloadVisualize
BU of 3em6 by Molmil
Crystal structure of I50L/A71V mutant of hiv-1 protease in complex with 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, ACETATE ION, PHOSPHATE ION, ...
著者Royer, C.J, King, N.M, Prabu-Jeyabalan, M, Ng, C, Nalivaika, E.A, Schiffer, C.A.
登録日2008-09-23
公開日2009-09-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Kinetic and structural studies on atazanavir specific I50L drug-resistant HIV-1 protease mutant.
To be Published
4FAF
DownloadVisualize
BU of 4faf by Molmil
Substrate CA/p2 in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
分子名称: HIV-1 protease, substrate CA/p2 peptide
著者Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
登録日2012-05-22
公開日2012-08-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
3EC0
DownloadVisualize
BU of 3ec0 by Molmil
High Resolution HIV-2 Protease Structure in Complex with Antiviral Inhibitor GRL-06579A
分子名称: (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ...
著者Kovalevsky, A.Y, Weber, I.T.
登録日2008-08-28
公開日2008-09-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease
J.Mol.Biol., 384, 2008
3EL0
DownloadVisualize
BU of 3el0 by Molmil
Crystal structure of the inhibitor Nelfinavir (NFV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation)
分子名称: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, PHOSPHATE ION, ...
著者Prabu-Jeyabalan, M, King, N.M.
登録日2008-09-19
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3DCK
DownloadVisualize
BU of 3dck by Molmil
X-ray structure of D25N chemical analogue of HIV-1 protease complexed with ketomethylene isostere inhibitor
分子名称: (2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(acetylamino)-3-hydroxybutanoyl]amino}-3-methylpentanoyl]amino}-2-butyl-4-oxononanoyl]amino}-N~1~-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide, Chemical analogue HIV-1 protease
著者Torbeev, V.Y, Mandal, K, Terechko, V.A, Kent, S.B.H.
登録日2008-06-03
公開日2008-08-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site
Bioorg.Med.Chem.Lett., 18, 2008
3DCR
DownloadVisualize
BU of 3dcr by Molmil
X-ray structure of HIV-1 protease and hydrated form of ketomethylene isostere inhibitor
分子名称: Chemical analogue HIV-1 protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide
著者Torbeev, V.Y, Mandal, K, Terechko, V.A, Kent, S.B.H.
登録日2008-06-04
公開日2008-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of chemically synthesized HIV-1 protease and a ketomethylene isostere inhibitor based on the p2/NC cleavage site
Bioorg.Med.Chem.Lett., 18, 2008
4HDB
DownloadVisualize
BU of 4hdb by Molmil
Crystal Structure of HIV-1 protease mutants D30N 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, Shen, C.H, Agniswamy, J, 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 (1.49 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
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
3EKP
DownloadVisualize
BU of 3ekp by Molmil
Crystal Structure of the inhibitor Amprenavir (APV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A)Refer: FLAP+ in citation
分子名称: ACETATE ION, PHOSPHATE ION, Protease, ...
著者Prabu-Jayabalan, M, King, N.M, Bandaranayake, R.M.
登録日2008-09-19
公開日2009-09-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EM3
DownloadVisualize
BU of 3em3 by Molmil
Crystal structure of amprenavir (APV) in complex with a drug resistant HIV-1 protease variant (I50L/A71V).
分子名称: ACETATE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
登録日2008-09-23
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Kinetic and Structural Studies on Atazanavir-specific I50L Drug-Resistant HIV-1 Protease Mutant
To be Published
4HLA
DownloadVisualize
BU of 4hla by Molmil
Crystal structure of wild type HIV-1 protease 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Yedidi, R.S, Garimella, H, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H.
登録日2012-10-16
公開日2013-07-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety.
Antimicrob.Agents Chemother., 57, 2013
4F73
DownloadVisualize
BU of 4f73 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site
分子名称: ACETATE ION, GLYCEROL, N terminal product of substrate CA-p2, ...
著者Schiffer, C.A, Mittal, S, Nalam, M.N.L.
登録日2012-05-15
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site
To be Published
3EKV
DownloadVisualize
BU of 3ekv by Molmil
Crystal structure of the wild type HIV-1 protease with the inhibitor, Amprenavir
分子名称: ACETATE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Schiffer, C.A, Nalam, M.N.L.
登録日2008-09-19
公開日2009-09-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012

221716

件を2024-06-26に公開中

PDB statisticsPDBj update infoContact PDBjnumon