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5MMB
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BU of 5mmb by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ434 (compound 6p)
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(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), GLYCEROL, ...
Authors:Maskell, D.P, Pye, V.E, Cherepanov, P.
Deposit date:2016-12-09
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
J. Med. Chem., 60, 2017
5NO1
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BU of 5no1 by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ407 (compound 5g)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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:Pye, V.E, Cherepanov, P.
Deposit date:2017-04-10
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
J. Med. Chem., 60, 2017
5MMA
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BU of 5mma by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ379 (compound 5'g)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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:Maskell, D.P, Pye, V.E, Cherepanov, P.
Deposit date:2016-12-09
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
J. Med. Chem., 60, 2017
7U32
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BU of 7u32 by Molmil
MVV cleaved synaptic complex (CSC) intasome at 3.4 A resolution
Descriptor: CALCIUM ION, DNA EV272, DNA EV273, ...
Authors:Shan, Z, Pye, V.E, Cherepanov, P, Lyumkis, D.
Deposit date:2022-02-25
Release date:2022-05-11
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Multivalent interactions essential for lentiviral integrase function.
Nat Commun, 13, 2022
3L2V
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BU of 3l2v by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with manganese and MK0518 (Raltegravir)
Descriptor: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ...
Authors:Hare, S, Gupta, S.S, Cherepanov, P.
Deposit date:2009-12-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3L2W
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BU of 3l2w by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with manganese and GS9137 (Elvitegravir)
Descriptor: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ...
Authors:Hare, S, Gupta, S.S, Cherepanov, P.
Deposit date:2009-12-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3L2Q
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BU of 3l2q by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in apo form
Descriptor: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', GLYCEROL, ...
Authors:Hare, S, Gupta, S.S, Cherepanov, P.
Deposit date:2009-12-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3L2R
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BU of 3l2r by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium
Descriptor: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ...
Authors:Hare, S, Gupta, S.S, Cherepanov, P.
Deposit date:2009-12-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3L2U
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BU of 3l2u by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and GS9137 (Elvitegravir)
Descriptor: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ...
Authors:Hare, S, Gupta, S.S, Cherepanov, P.
Deposit date:2009-12-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3OYF
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BU of 3oyf by Molmil
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
3OS2
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BU of 3os2 by Molmil
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
3OYI
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BU of 3oyi by Molmil
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
3OYC
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BU of 3oyc by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI PICA
Descriptor: 9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-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 (2.66 Å)
Cite:Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OYJ
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BU of 3oyj by Molmil
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
3OYN
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BU of 3oyn by Molmil
Crystal structure of the PFV N224H mutant intasome bound to 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
3OYD
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BU of 3oyd by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI GS9160
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 (2.54 Å)
Cite:Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OS0
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BU of 3os0 by Molmil
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
3OYE
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BU of 3oye by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI Compound2
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 (2.74 Å)
Cite:Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
3OYL
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BU of 3oyl by Molmil
Crystal structure of the PFV S217H mutant intasome bound to 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
3OS1
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BU of 3os1 by Molmil
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
3OYB
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BU of 3oyb by Molmil
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
3OYK
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BU of 3oyk by Molmil
Crystal structure of the PFV S217H mutant intasome bound to 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
3OYG
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BU of 3oyg by Molmil
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
3S3M
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BU of 3s3m by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and Dolutegravir (S/GSK1349572)
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, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 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:2011-05-18
Release date:2011-07-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572).
Mol.Pharmacol., 80, 2011
3S3O
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BU of 3s3o by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) N224H mutant intasome in complex with magnesium and Dolutegravir (S/GSK1349572)
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, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 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:2011-05-18
Release date:2011-07-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572).
Mol.Pharmacol., 80, 2011

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