4CK3
 
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 5-[(2S)-2-{[(4-aminobutanoyl)amino]methyl}-4-methylpentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-24 | | Release date: | 2014-01-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
|
|
4CF0
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | (2R)-6-[[(1R,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETATE ION, INTEGRASE, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-11-13 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
|
|
2B4J
 | | Structural basis for the recognition between HIV-1 integrase and LEDGF/p75 | | Descriptor: | GLYCEROL, Integrase (IN), PC4 and SFRS1 interacting protein, ... | | Authors: | Cherepanov, P, Ambrosio, A.L, Rahman, S, Ellenberger, T, Engelman, A. | | Deposit date: | 2005-09-24 | | Release date: | 2005-10-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural basis for the recognition between HIV-1 integrase and transcriptional coactivator p75
Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
4ZTJ
 | | Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor | | Descriptor: | (1R,2S,5R)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, 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: | Klein, D.J, Patel, S. | | Deposit date: | 2015-05-14 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors.
J.Med.Chem., 58, 2015
|
|
7ADV
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ447 (compound 6v) | | Descriptor: | 4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, 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: | 2020-09-16 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | HIV-1 Integrase Inhibitors with Modifications That Affect Their Potencies against Drug Resistant Integrase Mutants.
Acs Infect Dis., 7, 2021
|
|
4ZTF
 | | Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor | | Descriptor: | (1R,2R,5S)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2S)-2-hydroxypropyl]-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), ... | | Authors: | Klein, D.J, Patel, S. | | Deposit date: | 2015-05-14 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors.
J.Med.Chem., 58, 2015
|
|
1K6Y
 | | Crystal Structure of a Two-Domain Fragment of HIV-1 Integrase | | Descriptor: | Integrase, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Wang, J, Ling, H, Yang, W, Craigie, R. | | Deposit date: | 2001-10-17 | | Release date: | 2001-12-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a two-domain fragment of HIV-1 integrase: implications for domain organization in the intact protein.
EMBO J., 20, 2001
|
|
5CZ2
 | | Crystal structure of a two-domain fragment of MMTV integrase | | Descriptor: | MAGNESIUM ION, Pol polyprotein, ZINC ION | | Authors: | Cook, N, Ballandras-Colas, A, Engelman, A, Cherepanov, P. | | Deposit date: | 2015-07-31 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
|
|
7ADU
 | |
3F9K
 | | Two domain fragment of HIV-2 integrase in complex with LEDGF IBD | | Descriptor: | Integrase, MAGNESIUM ION, PC4 and SFRS1-interacting protein, ... | | Authors: | Hare, S, Cherepanov, P. | | Deposit date: | 2008-11-14 | | Release date: | 2009-01-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | A novel co-crystal structure affords the design of gain-of-function lentiviral integrase mutants in the presence of modified PSIP1/LEDGF/p75
Plos Pathog., 5, 2009
|
|
7Z1Z
 | | MVV strand transfer complex (STC) intasome in complex with LEDGF/p75 at 3.5 A resolution | | Descriptor: | DNA (37-MER), DNA (5'-D(*GP*CP*TP*GP*CP*GP*AP*GP*AP*TP*CP*CP*GP*CP*TP*CP*CP*GP*GP*TP*G)-3'), DNA (5'-D(P*TP*TP*GP*AP*TP*TP*AP*GP*GP*GP*TP*G)-3'), ... | | Authors: | Pye, V.E, Ballandras-Colas, A, Cherepanov, P. | | Deposit date: | 2022-02-25 | | Release date: | 2022-05-11 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Multivalent interactions essential for lentiviral integrase function.
Nat Commun, 13, 2022
|
|
3S3N
 | | Crystal structure of the Prototype Foamy Virus (PFV) S217H 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 (2.49 Å) | | Cite: | Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572).
Mol.Pharmacol., 80, 2011
|
|
3S3M
 | | 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
 | | 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
|
|
5M0R
 | | Cryo-EM reconstruction of the maedi-visna virus (MVV) strand transfer complex | | Descriptor: | integrase, tDNA, vDNA, ... | | Authors: | Pye, V.E, Ballandras-Colas, A, Maskell, D, Locke, J, Kotecha, A, Costa, A, Cherepanov, P. | | Deposit date: | 2016-10-05 | | Release date: | 2017-01-18 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | A supramolecular assembly mediates lentiviral DNA integration.
Science, 355, 2017
|
|
4IKF
 | | PFV intasome with inhibitor MB-76 | | Descriptor: | 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', AMMONIUM ION, ... | | Authors: | Taltynov, O, Demeulemeester, J, Desimmie, B.A, Suchaud, V, Billamboz, M, Lion, C, Bailly, F, Debyser, Z, Cotelle, P, Christ, F, Strelkov, S.V. | | Deposit date: | 2012-12-26 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | 2-Hydroxyisoquinoline-1,3(2H,4H)-diones (HIDs), novel inhibitors of HIV integrase with a high barrier to resistance.
Acs Chem.Biol., 8, 2013
|
|
5MMB
 | | 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
 | |
5UOP
 | | CRYSTAL STRUCTURE OF THE PROTOTYPE FOAMY VIRUS INTASOME WITH A 2- PYRIDINONE AMINAL INHIBITOR (COMPOUND 18) | | Descriptor: | (1S,2S,5R)-8'-[(3-chloro-4-fluorophenyl)methyl]-2'-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-6'-hydroxy-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, GLYCEROL, INTEGRASE, ... | | Authors: | Klein, D.J. | | Deposit date: | 2017-02-01 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery and optimization of 2-pyridinone aminal integrase strand transfer inhibitors for the treatment of HIV.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5UOQ
 | | CRYSTAL STRUCTURE OF THE PROTOTYPE FOAMY VIRUS INTASOME WITH A 2- PYRIDINONE AMINAL INHIBITOR (COMPOUND 31) | | Descriptor: | (3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile, GLYCEROL, INTEGRASE, ... | | Authors: | Klein, D.J. | | Deposit date: | 2017-02-01 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery and optimization of 2-pyridinone aminal integrase strand transfer inhibitors for the treatment of HIV.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
5MMA
 | | 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
|
|
7ZPP
 | | Cryo-EM structure of the MVV CSC intasome at 4.5A resolution | | Descriptor: | Integrase, vDNA, non-transferred strand, ... | | Authors: | Ballandras-Colas, A, Maskell, D, Pye, V.E, Locke, J, Swuec, S, Kotecha, A, Costa, A, Cherepanov, P. | | Deposit date: | 2022-04-28 | | Release date: | 2022-05-11 | | Last modified: | 2022-10-12 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | A supramolecular assembly mediates lentiviral DNA integration
Science, 355, 2017
|
|
5FRM
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ384 (compound 4a) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', ... | | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | | Deposit date: | 2015-12-18 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
|
|
5FRO
 | | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the 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, 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: | Maskell, D.P, Pye, V.E, Cherepanov, P. | | Deposit date: | 2015-12-18 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
|
|
8B4H
 | | IstA transposase cleaved donor complex | | Descriptor: | DNA (55-MER) / right IS21 transposon end (insertion sequence IS5376), DNA (57-MER) / right IS21 transposon end (insertion sequence IS5376), MAGNESIUM ION, ... | | Authors: | Spinola-Amilibia, M, de la Gandara, A, Araujo-Bazan, L, Berger, J.M, Arias-Palomo, E. | | Deposit date: | 2022-09-20 | | Release date: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | IS21 family transposase cleaved donor complex traps two right-handed superhelical crossings.
Nat Commun, 14, 2023
|
|
