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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
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
3OYH
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BU of 3oyh by Molmil
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
4BE2
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BU of 4be2 by Molmil
PFV intasome with inhibitor XZ-259
Descriptor: 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND) *AP*CP*A)-3', 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-2,3-dihydro-1H-isoindole-4-sulfonamide, ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2012-10-08
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
4BE1
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BU of 4be1 by Molmil
PFV intasome with inhibitor XZ-116
Descriptor: 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one, ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2012-10-08
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
4BDY
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BU of 4bdy by Molmil
PFV intasome with inhibitor XZ-89
Descriptor: 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione, ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2012-10-08
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
4BDZ
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BU of 4bdz by Molmil
PFV intasome with inhibitor XZ-90
Descriptor: 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one, ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2012-10-08
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
4BE0
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BU of 4be0 by Molmil
PFV intasome with inhibitor XZ-115
Descriptor: 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione, ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2012-10-08
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
5O65
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BU of 5o65 by Molmil
Crystal Structure of the Pseudomonas functional amyloid secretion protein FapF
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, FapF, LAURYL DIMETHYLAMINE-N-OXIDE, ...
Authors:Rouse, S.L, Hare, S, Lambert, S, Morgan, R.M.L, Hawthorne, W.J, Berry, J, Matthews, S.J.
Deposit date:2017-06-05
Release date:2017-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new class of hybrid secretion system is employed in Pseudomonas amyloid biogenesis.
Nat Commun, 8, 2017
5O67
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BU of 5o67 by Molmil
Crystal structure of the FapF polypeptide transporter - F103A mutant
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, FapF, LAURYL DIMETHYLAMINE-N-OXIDE
Authors:Rouse, S.L, Hare, S, Lambert, S, Morgan, R.M.L, Hawthorne, W.J, Berry, J, Matthews, S.J.
Deposit date:2017-06-05
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:A new class of hybrid secretion system is employed in Pseudomonas amyloid biogenesis.
Nat Commun, 8, 2017
5O68
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BU of 5o68 by Molmil
Crystal Structure of the Pseudomonas functional amyloid secretion protein FapF - R157A mutant
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, FapF, LAURYL DIMETHYLAMINE-N-OXIDE
Authors:Rouse, S.L, Hare, S, Lambert, S, Morgan, R.M.L, Hawthorne, W.J, Berry, J, Matthews, S.J.
Deposit date:2017-06-05
Release date:2017-08-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:A new class of hybrid secretion system is employed in Pseudomonas amyloid biogenesis.
Nat Commun, 8, 2017
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
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
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
4C0Q
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BU of 4c0q by Molmil
Transportin 3 in complex with Ran(Q69L)GTP
Descriptor: GTP-BINDING NUCLEAR PROTEIN RAN, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Maertens, G, Hare, S, Cherepanov, P.
Deposit date:2013-08-06
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
4C0P
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BU of 4c0p by Molmil
Unliganded Transportin 3
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TRANSPORTIN-3
Authors:Maertens, G.N, Cook, N.J, Hare, S, Cherepanov, P.
Deposit date:2013-08-06
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3.
Proc.Natl.Acad.Sci.USA, 111, 2014
4E7J
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BU of 4e7j by Molmil
PFV integrase Target Capture Complex, Apo form (TCC-Apo), at 3.15 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, Cherepanov, P.
Deposit date:2012-03-17
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1501 Å)
Cite:3'-Processing and strand transfer catalysed by retroviral integrase in crystallo.
Embo J., 468, 2012
4E7L
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BU of 4e7l by Molmil
PFV integrase Strand Transfer Complex (STC-Mn*) following reaction in crystallo, at 3.0 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*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, Cherepanov, P.
Deposit date:2012-03-17
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.0001 Å)
Cite:3'-Processing and strand transfer catalysed by retroviral integrase in crystallo.
Embo J., 31, 2012
4E7K
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BU of 4e7k by Molmil
PFV integrase Target Capture Complex (TCC-Mn), freeze-trapped prior to strand transfer, at 3.0 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, Cherepanov, P.
Deposit date:2012-03-17
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:3'-Processing and strand transfer catalysed by retroviral integrase in crystallo.
Embo J., 31, 2012
8AXP
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BU of 8axp by Molmil
Neisseria gonorrhoeae peptidyl-tRNA hydrolase complexed with an XChem hit.
Descriptor: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, Peptidyl-tRNA hydrolase, SULFATE ION
Authors:Roe, S.M, Fearon, D.
Deposit date:2022-08-31
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Synthesis of a Thiazole Library via an Iridium-Catalyzed Sulfur Ylide Insertion Reaction.
Org.Lett., 24, 2022
5COF
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BU of 5cof by Molmil
Crystal structure of Uncharacterised protein Q1R1X2 from Escherichia coli UTI89
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Taylor, J.D, Hare, S, Matthews, S.J.
Deposit date:2015-07-20
Release date:2016-02-03
Last modified:2016-03-02
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structures of the DfsB Protein Family Suggest a Cationic, Helical Sibling Lethal Factor Peptide.
J.Mol.Biol., 428, 2016
5CQV
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BU of 5cqv by Molmil
Crystal structure of uncharacterized protein Q8DWV2 from Streptococcus agalactiae
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Uncharacterized protein
Authors:Taylor, J.D, Hare, S, Matthews, S.J.
Deposit date:2015-07-22
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the DfsB Protein Family Suggest a Cationic, Helical Sibling Lethal Factor Peptide.
J.Mol.Biol., 428, 2016
3DLR
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BU of 3dlr by Molmil
Crystal structure of the catalytic core domain from PFV integrase
Descriptor: Integrase, MAGNESIUM ION
Authors:Valkov, E, Cherepanov, P.
Deposit date:2008-06-29
Release date:2008-12-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Functional and structural characterization of the integrase from the prototype foamy virus.
Nucleic Acids Res., 37, 2009

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