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: 299 件
3AO2
DownloadVisualize
BU of 3ao2 by Molmil
Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase
分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-(7-bromo-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine, ...
著者Wielens, J, Chalmers, D.K, Headey, S.J, Parker, M.W, Scanlon, M.J.
登録日2010-09-20
公開日2011-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
3KT5
DownloadVisualize
BU of 3kt5 by Molmil
Crystal Structure of N88S mutant HIV-1 Protease
分子名称: Protease
著者Bihani, S.C, Das, A, Prashar, V, Ferrer, J.L, Hosur, M.V.
登録日2009-11-24
公開日2010-02-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S.
Biochem.Biophys.Res.Commun., 389, 2009
5HRP
DownloadVisualize
BU of 5hrp by Molmil
HIV Integrase Catalytic Domain containing F185K + A124T mutations complexed with GSK0002
分子名称: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
著者Nolte, R.T.
登録日2016-01-24
公開日2016-12-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
5TC2
DownloadVisualize
BU of 5tc2 by Molmil
C-terminal domain of HIV-1 integrase, crystal structure
分子名称: GLYCEROL, integrase
著者Tsirkone, V.G, Strelkov, S.V.
登録日2016-09-14
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Interaction of TRN-SR2 with HIV Integrase
To Be Published
4Q1W
DownloadVisualize
BU of 4q1w by Molmil
Mutations Outside the Active Site of HIV-1 Protease Alter Enzyme Structure and Dynamic Ensemble of the Active Site to Confer Drug Resistance
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, ASPARTYL PROTEASE, ...
著者Ragland, D.A, Nalam, M.N.L, Cao, H, Nalivaika, E.A, Cai, Y, Kurt-Yilmaz, N, Schiffer, C.A.
登録日2014-04-04
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease.
J.Am.Chem.Soc., 136, 2014
5HRS
DownloadVisualize
BU of 5hrs by Molmil
HIV Integrase Catalytic Domain containing F185K + A124N + T125A mutations complexed with GSK0002
分子名称: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
著者Nolte, R.T.
登録日2016-01-24
公開日2016-12-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
7XIS
DownloadVisualize
BU of 7xis by Molmil
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with nitrofuran methoxy(methoxycarbonyl)phenyl ester
分子名称: (2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate, MANGANESE (II) ION, Reverse Transcriptase RNase H domain, ...
著者Lu, H, Komukai, Y, Usami, K, Guo, Y, Qiao, X, Nukaga, M, Hoshino, T.
登録日2022-04-14
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Computational and Crystallographic Analysis of Binding Structures of Inhibitory Compounds for HIV-1 RNase H Activity.
J.Chem.Inf.Model., 62, 2022
8F7M
DownloadVisualize
BU of 8f7m by Molmil
Crystal Structure of HLA-B*57:01-TW10-T242N complex
分子名称: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Chatzileontiadou, D.S.M, Lobos, C.A, Gras, S.
登録日2022-11-18
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal Structure of HLA-B*57:01-TW10-T242N complex
To Be Published
5HRR
DownloadVisualize
BU of 5hrr by Molmil
HIV Integrase Catalytic Domain containing F185K + A124N + T125S mutations complexed with GSK0002
分子名称: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
著者Nolte, R.T.
登録日2016-01-24
公開日2016-12-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
6VQD
DownloadVisualize
BU of 6vqd by Molmil
HLA-B*27:05 presenting an HIV-1 8mer peptide
分子名称: 8-mer peptide, Beta-2-microglobulin, GLYCEROL, ...
著者Pymm, P, Tenzer, S, Wee, E, Weimershaus, M, Burgevin, A, Kollnberger, S, Gerstoft, J, Josephs, T.M, Ladell, K, Mclaren, J.E, Appay, V, Price, D.A, Fugger, L, Bell, J.I, Hansjorg, S, Van Endert, P, Harkiolaki, M, Iversen, A.K.N.
登録日2020-02-05
公開日2021-02-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Epitope length variants balance protective immune responses and viral escape in HIV-1 infection
Cell Rep, 38, 2022
7DT9
DownloadVisualize
BU of 7dt9 by Molmil
D30N HIV Protease in complex with Saquinavir
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, Protease
著者Bihani, S.C, Hosur, M.V.
登録日2021-01-04
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献D30N HIV Protease in complex with Saquinavir
To Be Published
6BJ3
DownloadVisualize
BU of 6bj3 by Molmil
TCR55 in complex with HIV(Pol448-456)/HLA-B35
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HIV Pol B35 peptide, ...
著者Jude, K.M, Sibener, L.V, Garcia, K.C.
登録日2017-11-03
公開日2018-07-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding.
Cell, 174, 2018
1BWA
DownloadVisualize
BU of 1bwa by Molmil
HIV-1 PROTEASE (V82F/I84V) DOUBLE MUTANT COMPLEXED WITH XV638 OF DUPONT PHARMACEUTICALS
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1998-10-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 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
1G6L
DownloadVisualize
BU of 1g6l by Molmil
1.9A CRYSTAL STRUCTURE OF TETHERED HIV-1 PROTEASE
分子名称: HIV-1 PROTEASE
著者Pillai, B, Kannan, K.K, Hosur, M.V.
登録日2000-11-07
公開日2000-11-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9 A x-ray study shows closed flap conformation in crystals of tethered HIV-1 PR.
Proteins, 43, 2001
4Q1X
DownloadVisualize
BU of 4q1x by Molmil
Mutations Outside the Active Site of HIV-1 Protease Alter Enzyme Structure and Dynamic Ensemble of the Active Site to Confer Drug Resistance
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, ASPARTYL PROTEASE, GLYCEROL, ...
著者Ragland, D.A, Nalam, M.N.L, Cao, H, Nalivaika, E.A, Cai, Y, Kurt-Yilmaz, N, Schiffer, C.A.
登録日2014-04-04
公開日2015-02-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease.
J.Am.Chem.Soc., 136, 2014
7DOZ
DownloadVisualize
BU of 7doz by Molmil
HIV-1 Protease D30N mutant in complex with 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, Protease
著者Bihani, S.C, Hosur, M.V.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Molecular basis for reduced cleavage activity and drug resistance in D30N HIV-1 protease.
J.Biomol.Struct.Dyn., 2021
8JYI
DownloadVisualize
BU of 8jyi by Molmil
Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid E
分子名称: 7-[5-(2-azanylethyl)-2-oxidanyl-phenyl]-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-1,2-dicarboxylic acid, MANGANESE (II) ION, Pol protein,Pol protein,Ribonuclease H, ...
著者Ito, Y, Lu, H, Kitajima, M, Ishikawa, H, Nakata, Y, Iwatani, Y, Hoshino, T.
登録日2023-07-03
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Sticklac-Derived Natural Compounds Inhibiting RNase H Activity of HIV-1 Reverse Transcriptase.
J.Nat.Prod., 86, 2023
4U1I
DownloadVisualize
BU of 4u1i by Molmil
HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GAG protein, ...
著者Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K.
登録日2014-07-15
公開日2015-04-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
8F5A
DownloadVisualize
BU of 8f5a by Molmil
Crystal Structure of KS1 TCR in complex with HLA-B*57:01-TW10
分子名称: ACETATE ION, Beta-2-microglobulin, CHLORIDE ION, ...
著者Chatzileontiadou, D.S.M, Lobos, C.A, Gras, S.
登録日2022-11-12
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of KS1 TCR in complex with HLA-B*57:01-TW10
To Be Published
1TSQ
DownloadVisualize
BU of 1tsq by Molmil
CRYSTAL STRUCTURE OF AP2V SUBSTRATE VARIANT OF NC-P1 DECAMER PEPTIDE IN COMPLEX WITH V82A/D25N HIV-1 PROTEASE MUTANT
分子名称: ACETATE ION, AP2V NC-P1 SUBSTRATE PEPTIDE, Pol polyprotein
著者Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
登録日2004-06-21
公開日2005-03-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for coevolution of a human immunodeficiency virus type 1 nucleocapsid-p1 cleavage site with a V82A drug-resistant mutation in viral protease
J.Virol., 78, 2004
1BV7
DownloadVisualize
BU of 1bv7 by Molmil
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
1BV9
DownloadVisualize
BU of 1bv9 by Molmil
HIV-1 PROTEASE (I84V) COMPLEXED WITH XV638 OF DUPONT PHARMACEUTICALS
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
DownloadVisualize
BU of 6j1v by Molmil
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
3DOX
DownloadVisualize
BU of 3dox by Molmil
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
6CPN
DownloadVisualize
BU of 6cpn by Molmil
Crystal structure of DR11 presenting the RQ13 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gag polyprotein, ...
著者Farenc, C, Gras, S, Rossjohn, J.
登録日2018-03-13
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CD4+T cell-mediated HLA class II cross-restriction in HIV controllers.
Sci Immunol, 3, 2018

224931

件を2024-09-11に公開中

PDB statisticsPDBj update infoContact PDBjnumon