5JL4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jl4 by Molmil](/molmil-images/mine/5jl4) | |
8CT5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ct5 by Molmil](/molmil-images/mine/8ct5) | |
8CT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ct7 by Molmil](/molmil-images/mine/8ct7) | Catalytic Core Domain of HIV-1 Integrase (F185K) bound with BI-224436 | Descriptor: | (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase, ... | Authors: | Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D. | Deposit date: | 2022-05-13 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization. Plos Pathog., 19, 2023
|
|
8D3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d3s by Molmil](/molmil-images/mine/8d3s) | |
5KGW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kgw by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kgx by Molmil](/molmil-images/mine/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
|
|
8A1Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a1q by Molmil](/molmil-images/mine/8a1q) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir) | Descriptor: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ... | 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 (2.06 Å) | Cite: | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function. Mbio, 14, 2023
|
|
5KRS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5krs by Molmil](/molmil-images/mine/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
|
|
5OI8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oi8 by Molmil](/molmil-images/mine/5oi8) | |
5KRT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5krt by Molmil](/molmil-images/mine/5krt) | |
8BUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8buv by Molmil](/molmil-images/mine/8buv) | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor LEDGIN 3 | Descriptor: | (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 1,2-ETHANEDIOL, Integrase, ... | Authors: | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | Deposit date: | 2022-11-30 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor LEDGIN 3 To Be Published
|
|
8BV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bv2 by Molmil](/molmil-images/mine/8bv2) | |
5EU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5eu7 by Molmil](/molmil-images/mine/5eu7) | Crystal structure of HIV-1 integrase catalytic core in complex with Fab | Descriptor: | FAB Heavy Chain, FAB light chain, Integrase | Authors: | Galilee, M, Griner, S.L, Stroud, R.M, Alian, A. | Deposit date: | 2015-11-18 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | The Preserved HTH-Docking Cleft of HIV-1 Integrase Is Functionally Critical. Structure, 24, 2016
|
|
5OI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oi5 by Molmil](/molmil-images/mine/5oi5) | |
5OI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oi3 by Molmil](/molmil-images/mine/5oi3) | |
5OIA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oia by Molmil](/molmil-images/mine/5oia) | |
5OI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oi2 by Molmil](/molmil-images/mine/5oi2) | |
6UM8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6um8 by Molmil](/molmil-images/mine/6um8) | HIV Integrase in complex with Compound-14 | Descriptor: | (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, DI(HYDROXYETHYL)ETHER, Integrase, ... | Authors: | Khan, J.A, Kish, K. | Deposit date: | 2019-10-09 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors. J.Med.Chem., 63, 2020
|
|
1VSK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vsk by Molmil](/molmil-images/mine/1vsk) | |
1VSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vse by Molmil](/molmil-images/mine/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
|
|
1VSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vsf by Molmil](/molmil-images/mine/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
|
|
1VSH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vsh by Molmil](/molmil-images/mine/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: | 2024-06-05 | 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
|
|
1VSJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vsj by Molmil](/molmil-images/mine/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: | 2024-06-05 | 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
|
|
1VSI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vsi by Molmil](/molmil-images/mine/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: | 2024-06-05 | 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
|
|
1VSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vsd by Molmil](/molmil-images/mine/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: | 2024-06-05 | 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
|
|