7L2Y
 
 | |
5KGW
 | | HIV1 catalytic core domain in complex with inhibitor: (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | | Descriptor: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | | Authors: | Feng, L, Kobe, M, Kvaratskhelia, M. | | Deposit date: | 2016-06-13 | | Release date: | 2016-10-19 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
5KGX
 | | HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | | Descriptor: | (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION | | Authors: | Feng, L, Kobe, M, Kvaratskhelia, M. | | Deposit date: | 2016-06-13 | | Release date: | 2016-10-19 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
5KRS
 | | HIV-1 Integrase Catalytic Core Domain in Complex with an Allosteric Inhibitor, 3-(1H-pyrrol-1-yl)-2-thiophenecarboxylic acid | | Descriptor: | 3-pyrrol-1-ylthiophene-2-carboxylic acid, DIMETHYL SULFOXIDE, Integrase | | Authors: | Patel, D, Bauman, J.D, Arnold, E. | | Deposit date: | 2016-07-07 | | Release date: | 2016-09-28 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain.
J.Biol.Chem., 291, 2016
|
|
5KRT
 | |
4GW6
 | | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor | | Descriptor: | (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid, ARSENIC, Gag-Pol polyprotein | | Authors: | Feng, L, Kvaratskhelia, M. | | Deposit date: | 2012-08-31 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The A128T Resistance Mutation Reveals Aberrant Protein Multimerization as the Primary Mechanism of Action of Allosteric HIV-1 Integrase Inhibitors.
J.Biol.Chem., 288, 2013
|
|
4GVM
 | |
4ID1
 | |
4JLH
 | |
6NCJ
 | | Structure of HIV-1 Integrase with potent 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives Allosteric Site Inhibitors | | Descriptor: | (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase, ... | | Authors: | Nolte, R.T. | | Deposit date: | 2018-12-11 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives as Potent HIV-1-Integrase-Allosteric-Site Inhibitors.
J. Med. Chem., 62, 2019
|
|
7WCE
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-yl)acetic acid | | Descriptor: | (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, GLYCEROL, Integrase catalytic, ... | | Authors: | Taoda, Y, Sekiguchi, Y. | | Deposit date: | 2021-12-20 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of tricyclic HIV-1 integrase-LEDGF/p75 allosteric inhibitors by intramolecular direct arylation reaction.
Bioorg.Med.Chem.Lett., 64, 2022
|
|
6NUJ
 | |
1VSD
 | | ASV INTEGRASE CORE DOMAIN WITH MG(II) COFACTOR AND HEPES LIGAND, HIGH MG CONCENTRATION FORM | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, MAGNESIUM ION | | Authors: | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1995-11-29 | | Release date: | 1996-04-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The catalytic domain of avian sarcoma virus integrase: conformation of the active-site residues in the presence of divalent cations.
Structure, 4, 1996
|
|
6QBT
 | |
1VSH
 | | ASV INTEGRASE CORE DOMAIN WITH ZN(II) COFACTORS | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, ZINC ION | | Authors: | Bujacz, G, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1997-03-04 | | Release date: | 1997-05-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity.
J.Biol.Chem., 272, 1997
|
|
1VSL
 | | ASV INTEGRASE CORE DOMAIN D64N MUTATION WITH ZINC CATION | | Descriptor: | PROTEIN (INTEGRASE), ZINC ION | | Authors: | Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1998-09-18 | | Release date: | 1998-09-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for inactivating mutations and pH-dependent activity of avian sarcoma virus integrase.
J.Biol.Chem., 273, 1998
|
|
1VSF
 | | ASV INTEGRASE CORE DOMAIN WITH MN(II) COFACTOR AND HEPES LIGAND, HIGH MG CONCENTRATION FORM | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE, MANGANESE (II) ION | | Authors: | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1995-11-29 | | Release date: | 1996-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The catalytic domain of avian sarcoma virus integrase: conformation of the active-site residues in the presence of divalent cations.
Structure, 4, 1996
|
|
1VSJ
 | | ASV INTEGRASE CORE DOMAIN WITH CD(II) COFACTORS | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, INTEGRASE | | Authors: | Bujacz, G, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1997-03-04 | | Release date: | 1997-05-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity.
J.Biol.Chem., 272, 1997
|
|
6QBV
 | |
6QBW
 | |
1VSI
 | | ASV INTEGRASE CORE DOMAIN WITH CA(II) COFACTOR | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, INTEGRASE | | Authors: | Bujacz, G, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1997-03-04 | | Release date: | 1997-05-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity.
J.Biol.Chem., 272, 1997
|
|
1VSM
 | |
1VSK
 | |
1VSE
 | | ASV INTEGRASE CORE DOMAIN WITH MG(II) COFACTOR AND HEPES LIGAND, LOW MG CONCENTRATION FORM | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, INTEGRASE | | Authors: | Bujacz, G, Jaskolski, M, Alexandratos, J, Wlodawer, A. | | Deposit date: | 1995-11-29 | | Release date: | 1996-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The catalytic domain of avian sarcoma virus integrase: conformation of the active-site residues in the presence of divalent cations.
Structure, 4, 1996
|
|
8A1P
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor BI-D | | Descriptor: | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | Deposit date: | 2022-06-01 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
|
|
