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2CFA
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BU of 2cfa by Molmil
Structure of viral flavin-dependant thymidylate synthase ThyX
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, THYMIDYLATE SYNTHASE
Authors:Graziani, S, Bernauer, J, Skouloubris, S, Graille, M, Zhou, C.-Z, Marchand, C, Decottignies, P, van Tilbeurgh, H, Myllykallio, H, Liebl, U.
Deposit date:2006-02-17
Release date:2006-05-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Catalytic Mechanism and Structure of Viral Flavin-Dependent Thymidylate Synthase Thyx.
J.Biol.Chem., 281, 2006
5FRO
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BU of 5fro by Molmil
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
1OC3
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BU of 1oc3 by Molmil
HUMAN PEROXIREDOXIN 5
Descriptor: BENZOIC ACID, PEROXIREDOXIN 5
Authors:Evrard, C, Declercq, J.-P.
Deposit date:2003-02-05
Release date:2004-02-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a Dimeric Oxidized Form of Human Peroxiredoxin 5
J.Mol.Biol., 337, 2004
1UVZ
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BU of 1uvz by Molmil
structure of human thioredoxin 2
Descriptor: THIOREDOXIN
Authors:Smeets, A, Evrard, C, Declercq, J.P.
Deposit date:2004-01-27
Release date:2005-06-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structures of Oxidized and Reduced Forms of Human Mitochondrial Thioredoxin 2.
Protein Sci., 14, 2005
6XN9
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BU of 6xn9 by Molmil
Solution NMR structure of recifin, a cysteine-rich tyrosyl-DNA Phosphodiesterase I modulatory peptide from the marine sponge Axinella sp.
Descriptor: Recifin modulatory peptide
Authors:Schroeder, C.I, Rosengren, K.J, O'Keefe, B.R.
Deposit date:2020-07-02
Release date:2021-02-10
Method:SOLUTION NMR
Cite:Recifin A, Initial Example of the Tyr-Lock Peptide Structural Family, Is a Selective Allosteric Inhibitor of Tyrosyl-DNA Phosphodiesterase I.
J.Am.Chem.Soc., 142, 2020
1W89
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BU of 1w89 by Molmil
Structure of the reduced form of human thioredoxin 2
Descriptor: THIOREDOXIN
Authors:Smeets, A, Evrard, C, Declercq, J.P.
Deposit date:2004-09-17
Release date:2005-10-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Oxidized and Reduced Forms of Human Mitochondrial Thioredoxin 2.
Protein Sci., 14, 2005
1W4V
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BU of 1w4v by Molmil
structure of the oxidised form of human thioredoxin 2
Descriptor: THIOREDOXIN, MITOCHONDRIAL
Authors:Smeets, A, Evrard, C, Declercq, J.P.
Deposit date:2004-07-30
Release date:2005-10-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Oxidized and Reduced Forms of Human Mitochondrial Thioredoxin 2.
Protein Sci., 14, 2005
4PUQ
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BU of 4puq by Molmil
Mus Musculus Tdp2 reaction product complex with 5'-phosphorylated RNA/DNA, glycerol, and Mg2+
Descriptor: ACETATE ION, DNA/RNA hybrid, GLYCEROL, ...
Authors:Schellenberg, M.J, Williams, R.S.
Deposit date:2014-03-13
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Proteolytic Degradation of Topoisomerase II (Top2) Enables the Processing of Top2DNA and Top2RNA Covalent Complexes by Tyrosyl-DNA-Phosphodiesterase 2 (TDP2).
J.Biol.Chem., 289, 2014
5FRM
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BU of 5frm by Molmil
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
2VL3
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BU of 2vl3 by Molmil
Oxidized and reduced forms of human peroxiredoxin 5
Descriptor: PEROXIREDOXIN-5
Authors:Smeets, A, Declercq, J.P.
Deposit date:2008-01-08
Release date:2008-08-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The Crystal Structures of Oxidized Forms of Human Peroxiredoxin 5 with an Intramolecular Disulfide Bond Confirm the Proposed Enzymatic Mechanism for Atypical 2-Cys Peroxiredoxins.
Arch.Biochem.Biophys., 477, 2008
2VL2
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BU of 2vl2 by Molmil
Oxidized and reduced forms of human peroxiredoxin 5
Descriptor: BENZOIC ACID, PEROXIREDOXIN-5
Authors:Smeets, A, Declercq, J.P.
Deposit date:2008-01-08
Release date:2008-08-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:The Crystal Structures of Oxidized Forms of Human Peroxiredoxin 5 with an Intramolecular Disulfide Bond Confirm the Proposed Enzymatic Mechanism for Atypical 2-Cys Peroxiredoxins.
Arch.Biochem.Biophys., 477, 2008
2VL9
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BU of 2vl9 by Molmil
Oxidized form of human peroxiredoxin 5
Descriptor: PEROXIREDOXIN-5
Authors:Smeets, A, Declercq, J.P.
Deposit date:2008-01-11
Release date:2008-08-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structures of Oxidized Forms of Human Peroxiredoxin 5 with an Intramolecular Disulfide Bond Confirm the Proposed Enzymatic Mechanism for Atypical 2-Cys Peroxiredoxins.
Arch.Biochem.Biophys., 477, 2008
5FRN
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BU of 5frn by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the 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, 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 (2.85 Å)
Cite:HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
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
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
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
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
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

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