3L3V
 
 | | Structure of HIV-1 integrase core domain in complex with sucrose | | Descriptor: | CADMIUM ION, POL polyprotein, SULFATE ION, ... | | Authors: | Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W. | | Deposit date: | 2009-12-18 | | Release date: | 2010-03-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site
Febs Lett., 584, 2010
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3LPT
 | | HIV integrase | | Descriptor: | (6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ... | | Authors: | Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z. | | Deposit date: | 2010-02-05 | | Release date: | 2010-05-12 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Nat.Chem.Biol., 6, 2010
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3LPU
 | | HIV integrase | | Descriptor: | (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, CALCIUM ION, ... | | Authors: | Nicolet, S, Christ, F, Voet, A, Marchand, A, Strelkov, S.V, de Maeyer, M, Chaltin, P, Debyzer, Z. | | Deposit date: | 2010-02-06 | | Release date: | 2010-05-12 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication.
Nat.Chem.Biol., 6, 2010
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3NF6
 | | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | | Descriptor: | 1,2-ETHANEDIOL, 5-[(2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | | Deposit date: | 2010-06-09 | | Release date: | 2011-04-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NF7
 | | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | | Descriptor: | 1,2-ETHANEDIOL, 5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | | Deposit date: | 2010-06-09 | | Release date: | 2011-04-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NF8
 | | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | | Descriptor: | 6-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ... | | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | | Deposit date: | 2010-06-09 | | Release date: | 2011-04-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NF9
 | | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | | Descriptor: | 1,2-ETHANEDIOL, 5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | | Deposit date: | 2010-06-10 | | Release date: | 2011-04-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3NFA
 | | Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | | Descriptor: | 6-[(5-bromo-2,3-dioxo-2,3-dihydro-1H-indol-1-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, Integrase, ... | | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | | Deposit date: | 2010-06-10 | | Release date: | 2011-04-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design
ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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3O4N
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3O4Q
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3OS0
 | | PFV strand transfer complex (STC) at 2.81 A resolution | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*G*GP*CP*AP*CP*GP*TP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | Authors: | Maertens, G.N, Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-08 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The mechanism of retroviral integration from X-ray structures of its key intermediates
Nature, 468, 2010
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3OS1
 | | PFV target capture complex (TCC) at 2.97 A resolution | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*CP*TP*CP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*(2DA))-3'), ... | | Authors: | Maertens, G.N, Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-08 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | The mechanism of retroviral integration from X-ray structures of its key intermediates
Nature, 468, 2010
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3OS2
 | | PFV target capture complex (TCC) at 3.32 A resolution | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*CP*TP*CP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | Authors: | Maertens, G.N, Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-08 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | The mechanism of retroviral integration from X-ray structures of its key intermediates
Nature, 468, 2010
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3OVN
 | | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | | Descriptor: | 1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Headey, S.J, Deadman, J.J, Rhodes, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2010-09-16 | | Release date: | 2011-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1
Chemmedchem, 6, 2011
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3OY9
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3OYA
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3OYB
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI MK2048 | | Descriptor: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-23 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYC
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3OYD
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3OYE
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3OYF
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI L-870,810 | | Descriptor: | 5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-23 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYG
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI Compound1 (CompoundG) | | Descriptor: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-23 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYH
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI MK0536 | | Descriptor: | 6-(3-chloro-4-fluorobenzyl)-4-hydroxy-N,N-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-23 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYI
 | | Crystal structure of the PFV S217Q mutant intasome in complex with manganese | | Descriptor: | AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-23 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3OYJ
 | | Crystal structure of the PFV S217Q mutant intasome in complex with magnesium and the INSTI MK2048 | | Descriptor: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2010-09-23 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
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