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6PUW
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BU of 6puw by Molmil
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and Bictegravir (BIC)
Descriptor: Bictegravir, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ...
Authors:Lyumkis, D, Jozwik, I.K, Passos, D.
Deposit date:2019-07-18
Release date:2020-02-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for strand-transfer inhibitor binding to HIV intasomes.
Science, 367, 2020
6PUY
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BU of 6puy by Molmil
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ426 (compound 4d)
Descriptor: 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ...
Authors:Lyumkis, D, Jozwik, I.K, Passos, D.
Deposit date:2019-07-18
Release date:2020-02-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for strand-transfer inhibitor binding to HIV intasomes.
Science, 367, 2020
6PUZ
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BU of 6puz by Molmil
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ446 (compound 4f)
Descriptor: 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ...
Authors:Lyumkis, D, Jozwik, I.K, Passos, D.
Deposit date:2019-07-18
Release date:2020-02-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for strand-transfer inhibitor binding to HIV intasomes.
Science, 367, 2020
6QBT
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BU of 6qbt by Molmil
Structure of the HTLV-2 integrase catalytic core domain in complex with magnesium (trimeric form)
Descriptor: HTLV-2 integrase catalytic core domain, MAGNESIUM ION
Authors:Barski, M.S, Minnell, J.J, Maertens, G.N.
Deposit date:2018-12-21
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma.
Nat Commun, 11, 2020
6QBV
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BU of 6qbv by Molmil
Structure of the HTLV-2 integrase catalytic core domain in complex with magnesium (dimeric form)
Descriptor: Integrase, MAGNESIUM ION
Authors:Barski, M.S, Maertens, G.N.
Deposit date:2018-12-21
Release date:2020-09-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma.
Nat Commun, 11, 2020
6QBW
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BU of 6qbw by Molmil
Structure of the HTLV-2 integrase catalytic core domain in complex with calcium
Descriptor: CALCIUM ION, integrase
Authors:Barski, M.S, Maertens, G.N.
Deposit date:2018-12-21
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma.
Nat Commun, 11, 2020
6RNY
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BU of 6rny by Molmil
PFV intasome - nucleosome strand transfer complex
Descriptor: DNA (108-MER), DNA (128-MER), DNA (33-MER), ...
Authors:Pye, V.E, Renault, L, Maskell, D.P, Cherepanov, P, Costa, A.
Deposit date:2019-05-09
Release date:2019-09-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Retroviral integration into nucleosomes through DNA looping and sliding along the histone octamer.
Nat Commun, 10, 2019
6RWL
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BU of 6rwl by Molmil
SIVrcm intasome
Descriptor: DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*TP*AP*AP*GP*AP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*CP*CP*A)-3'), Pol protein, ...
Authors:Cherepanov, P, Nans, A, Cook, N.
Deposit date:2019-06-05
Release date:2020-02-05
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Structural basis of second-generation HIV integrase inhibitor action and viral resistance.
Science, 367, 2020
6RWM
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BU of 6rwm by Molmil
SIVrcm intasome in complex with bictegravir
Descriptor: Bictegravir, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ...
Authors:Cherepanov, P, Nans, A, Cook, N.
Deposit date:2019-06-05
Release date:2020-02-05
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structural basis of second-generation HIV integrase inhibitor action and viral resistance.
Science, 367, 2020
6RWN
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BU of 6rwn by Molmil
SIVrcm intasome in complex with dolutegravir
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ...
Authors:Cherepanov, P, Nans, A, Cook, N.
Deposit date:2019-06-05
Release date:2020-02-05
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of second-generation HIV integrase inhibitor action and viral resistance.
Science, 367, 2020
6RWO
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BU of 6rwo by Molmil
SIVrcm intasome (Q148H/G140S) in complex with bictegravir
Descriptor: Bictegravir, CHLORIDE ION, DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), ...
Authors:Cherepanov, P, Nans, A, Cook, N.
Deposit date:2019-06-05
Release date:2020-02-05
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural basis of second-generation HIV integrase inhibitor action and viral resistance.
Science, 367, 2020
6U8Q
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BU of 6u8q by Molmil
CryoEM structure of HIV-1 cleaved synaptic complex (CSC) intasome
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ...
Authors:Li, M, Chen, X, Craigie, R.
Deposit date:2019-09-05
Release date:2020-02-05
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.67 Å)
Cite:A Peptide Derived from Lens Epithelium-Derived Growth Factor Stimulates HIV-1 DNA Integration and Facilitates Intasome Structural Studies.
J.Mol.Biol., 432, 2020
6UM8
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BU of 6um8 by Molmil
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
6V3K
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BU of 6v3k by Molmil
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ419 (compound 4c)
Descriptor: 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ...
Authors:Lyumkis, D, Jozwik, I.K, Passos, D.
Deposit date:2019-11-25
Release date:2020-02-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for strand-transfer inhibitor binding to HIV intasomes.
Science, 367, 2020
6VDK
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BU of 6vdk by Molmil
CryoEM structure of HIV-1 conserved Intasome Core
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ...
Authors:Li, M, Chen, X, Craigie, R.
Deposit date:2019-12-27
Release date:2020-02-05
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:A Peptide Derived from Lens Epithelium-Derived Growth Factor Stimulates HIV-1 DNA Integration and Facilitates Intasome Structural Studies.
J.Mol.Biol., 432, 2020
6VKA
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BU of 6vka by Molmil
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
Descriptor: 2,2'-{ethane-1,2-diylbis[oxyethane-2,1-diylcarbamoyl-4,1-phenyleneethyne-2,1-diyl(5-methyl-1-benzofuran-2,3-diyl)]}diacetic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-01-19
Release date:2021-01-20
Method:X-RAY DIFFRACTION (1.863 Å)
Cite:HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor
To Be Published
6VLH
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BU of 6vlh by Molmil
HIV Integrase Core domain (IN) in complex with dimer-spanning ligand
Descriptor: (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-01-24
Release date:2021-01-27
Method:X-RAY DIFFRACTION (2.036 Å)
Cite:HIV Integrase core domain (IN) in complex with dimeric spanning inhibitor
To Be Published
6VLM
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BU of 6vlm by Molmil
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
Descriptor: Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
Authors:Klein, D.J, Sanders, J.M.
Deposit date:2020-01-24
Release date:2020-05-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
6VOY
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BU of 6voy by Molmil
Cryo-EM structure of HTLV-1 instasome
Descriptor: DNA (25-MER), DNA (5'-D(P*AP*CP*AP*CP*AP*CP*TP*TP*GP*AP*CP*TP*AP*GP*GP*GP*TP*G)-3'), DNA-binding protein 7d, ...
Authors:Bhatt, V, Shi, K, Sundborger, A, Aihara, H.
Deposit date:2020-02-01
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of host protein hijacking in human T-cell leukemia virus integration.
Nat Commun, 11, 2020
6VQS
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BU of 6vqs by Molmil
HIV Integrase Core domain (IN) in complex with [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid
Descriptor: IODIDE ION, Integrase, SULFATE ION, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-02-05
Release date:2021-02-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:HIV Integrase Core domain (IN) in complex with [5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid
To Be Published
6VRG
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BU of 6vrg by Molmil
Structure of HIV-1 integrase with native amino-terminal sequence
Descriptor: Integrase, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Eilers, G, Gupta, K, Allen, A, Zhou, J, Hwang, Y, Cory, M, Bushman, F.D, Van Duyne, G.D.
Deposit date:2020-02-07
Release date:2020-09-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Influence of the amino-terminal sequence on the structure and function of HIV integrase.
Retrovirology, 17, 2020
6VX2
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BU of 6vx2 by Molmil
HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
Descriptor: (5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-02-21
Release date:2021-02-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
To Be Published
6W0U
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BU of 6w0u by Molmil
HIV Integrase core domain in complex with inhibitor 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)acetic acid
Descriptor: 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid, IODIDE ION, Integrase, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-03-02
Release date:2021-03-03
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:HIV Integrase core domain in complex with inhibitor
To Be Published
6W42
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BU of 6w42 by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-methyl-2-(2-(thiophen-2-yl)ethynyl)-1-benzofuran-3-yl)acetic acid
Descriptor: 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid, HIV Integrase catalytic domain, IODIDE ION, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-03-09
Release date:2021-03-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
To Be Published
6WC8
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BU of 6wc8 by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid
Descriptor: IODIDE ION, Integrase, SULFATE ION, ...
Authors:Gorman, M.A, Parker, M.W.
Deposit date:2020-03-29
Release date:2021-03-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:HIV Integrase core domain in complex with inhibitor
To Be Published

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PDB entries from 2024-05-22

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