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3RAE
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BU of 3rae by Molmil
Quinolone(Levofloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae
Descriptor: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, 5'-D(*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*GP*TP*GP*CP*AP*T)-3', ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2011-03-28
Release date:2012-04-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a quinolone-stabilized cleavage complex of topoisomerase IV from Klebsiella pneumoniae and comparison with a related Streptococcus pneumoniae complex.
Acta Crystallogr.,Sect.D, 72, 2016
3RAD
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BU of 3rad by Molmil
Quinolone(Clinafloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae
Descriptor: 5'-D(*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*GP*TP*GP*CP*AP*T)-3', 5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*G)-3', ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2011-03-28
Release date:2012-04-25
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
3RAF
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BU of 3raf by Molmil
Quinazolinedione-DNA cleavage complex of type IV topoisomerase from S. pneumoniae
Descriptor: 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione, 5'-D(*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*GP*TP*GP*CP*AP*T)-3', ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2011-03-28
Release date:2012-03-28
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Inhibitor-stabilised cleavage complexes of topoisomerase IIa: structural analysis of drug-dependent inter- and intramolecular interactions
To be Published
4I3H
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BU of 4i3h by Molmil
A three-gate structure of topoisomerase IV from Streptococcus pneumoniae
Descriptor: DNA (5'-D(*CP*AP*AP*AP*GP*GP*CP*GP*GP*TP*AP*AP*TP*AP*CP*GP*GP*TP*TP*AP*TP*CP*CP*AP*CP*AP*GP*AP*AP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*TP*TP*CP*TP*GP*TP*GP*GP*AP*TP*AP*AP*CP*CP*GP*TP*AP*TP*TP*AP*CP*CP*GP*CP*CP*TP*TP*TP*G)-3'), MAGNESIUM ION, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Crevel, I, Fisher, L.M, Sanderson, M.R.
Deposit date:2012-11-26
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure of an 'open' clamp type II topoisomerase-DNA complex provides a mechanism for DNA capture and transport.
Nucleic Acids Res., 41, 2013
4JUO
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BU of 4juo by Molmil
A low-resolution three-gate structure of topoisomerase IV from Streptococcus pneumoniae in space group H32
Descriptor: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Crevel, I, Fisher, L.M, Sanderson, M.R.
Deposit date:2013-03-25
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (6.53 Å)
Cite:Structure of an 'open' clamp type II topoisomerase-DNA complex provides a mechanism for DNA capture and transport.
Nucleic Acids Res., 41, 2013
4KPE
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BU of 4kpe by Molmil
Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate
Descriptor: (7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid, DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, ...
Authors:Laponogov, I, Pan, X.-S, Vesekov, D.A, Cirz, R.T, Wagman, A.S, Moser, H.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2013-05-13
Release date:2014-11-26
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
4KOE
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BU of 4koe by Molmil
Quinolone(Trovafloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae
Descriptor: DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, E-site DNA1, ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, Fisher, L.M, Sanderson, M.R.
Deposit date:2013-05-11
Release date:2014-11-26
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Inhibitor-stabilised cleavage complexes of topoisomerase IIa: structural analysis of drug-dependent inter- and intramolecular interactions
To be Published
4KPF
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BU of 4kpf by Molmil
Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate
Descriptor: (3aS,4R)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid, E-site1, E-site2, ...
Authors:Laponogov, I, Pan, X.-S, Vesekov, D.A, Cirz, R.T, Wagman, A.S, Moser, H.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2013-05-13
Release date:2014-11-26
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
4Z4Q
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BU of 4z4q by Molmil
Quinazolinedione(PD 0305970)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
Descriptor: 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione, DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, MAGNESIUM ION, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-04-02
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
4Z2D
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BU of 4z2d by Molmil
Quinolone(Levofloxacin)-DNA cleavage complex of gyrase from S. pneumoniae
Descriptor: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-03-29
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
4Z2C
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BU of 4z2c by Molmil
Quinolone(Moxifloxacin)-DNA cleavage complex of gyrase from S. pneumoniae
Descriptor: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-03-29
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
4Z53
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BU of 4z53 by Molmil
Quinolone(Trovafloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
Descriptor: DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, E-site DNA, MAGNESIUM ION, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-04-02
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
1D63
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BU of 1d63 by Molmil
CRYSTAL STRUCTURE OF A BERENIL-D(CGCAAATTTGCG) COMPLEX; AN EXAMPLE OF DRUG-DNA RECOGNITION BASED ON SEQUENCE-DEPENDENT STRUCTURAL FEATURES
Descriptor: BERENIL, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Brown, D.G, Sanderson, M.R, Garman, E, Neidle, S.
Deposit date:1992-03-02
Release date:1993-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a berenil-d(CGCAAATTTGCG) complex. An example of drug-DNA recognition based on sequence-dependent structural features.
J.Mol.Biol., 226, 1992
4Z2E
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BU of 4z2e by Molmil
Quinolone(Trovafloxacin)-DNA cleavage complex of gyrase from S. pneumoniae
Descriptor: DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-03-29
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
4Z3O
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BU of 4z3o by Molmil
Quinolone(Moxifloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae
Descriptor: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA topoisomerase 4 subunit B,ParE30-ParC55 fused topo IV from S. pneumoniae, E-site DNA, ...
Authors:Laponogov, I, Veselkov, D.A, Pan, X.-S, Selvarajah, J, Crevel, I.M.-T, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-03-31
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.44 Å)
Cite:Structural studies of the drug-stabilized cleavage complexes of topoisomerase IV and gyrase from Streptococcus pneumoniae
To Be Published
8A4R
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BU of 8a4r by Molmil
Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii from isotropic orthorhombic data at 3.59 A
Descriptor: PYRROLE-2-CARBOXYLATE, Proline racemase A (AsProR)
Authors:Najmudin, S, Pan, X.-S, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2022-06-13
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural and Functional analysis of the Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii
To Be Published
8A3F
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BU of 8a3f by Molmil
Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii from isotropic tetragonal data at 3.15 A
Descriptor: PYRROLE-2-CARBOXYLATE, Proline racemase A (AsProR)
Authors:Najmudin, S, Pan, X.-S, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2022-06-08
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural and Functional analysis of the Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii
To Be Published
1DNM
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BU of 1dnm by Molmil
CRYSTAL STRUCTURE AND SEQUENCE-DEPENDENT CONFORMATION OF THE A.G MIS-PAIRED OLIGONUCLEOTIDE D(CGCAAGCTGGCG)
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*GP*CP*TP*GP*GP*CP*G)-3')
Authors:Webster, G.D, Sanderson, M.R, Skelly, J.V, Neidle, S, Swann, P.F, Li, B.F, Tickle, I.J.
Deposit date:1990-06-22
Release date:1991-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and sequence-dependent conformation of the A.G mispaired oligonucleotide d(CGCAAGCTGGCG).
Proc.Natl.Acad.Sci.USA, 87, 1990
1POS
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BU of 1pos by Molmil
CRYSTAL STRUCTURE OF A NOVEL DISULFIDE-LINKED "TREFOIL" MOTIF FOUND IN A LARGE FAMILY OF PUTATIVE GROWTH FACTORS
Descriptor: PORCINE PANCREATIC SPASMOLYTIC POLYPEPTIDE
Authors:De, A, Brown, D, Gorman, M, Carr, M, Sanderson, M.R, Freemont, P.S.
Deposit date:1993-10-08
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a disulfide-linked "trefoil" motif found in a large family of putative growth factors.
Proc.Natl.Acad.Sci.USA, 91, 1994
1QBG
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BU of 1qbg by Molmil
CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
Authors:Skelly, J.V, Sanderson, M.R, Suter, D.A, Baumann, U, Gregory, D.S, Bennett, M, Hobbs, S.M, Neidle, S.
Deposit date:1999-04-20
Release date:2000-04-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human DT-diaphorase: a model for interaction with the cytotoxic prodrug 5-(aziridin-1-yl)-2,4-dinitrobenzamide (CB1954).
J.Med.Chem., 42, 1999
1QHI
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BU of 1qhi by Molmil
HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE
Descriptor: 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION
Authors:Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R.
Deposit date:1999-05-12
Release date:1999-07-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.
FEBS Lett., 443, 1999
2RSL
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BU of 2rsl by Molmil
REFINEMENT OF GAMMA DELTA RESOLVASE REVEALS A STRIKINGLY FLEXIBLE MOLECULE
Descriptor: GAMMA DELTA-RESOLVASE, SULFATE ION
Authors:Rice, P.A, Steitz, T.A.
Deposit date:1993-09-08
Release date:1994-04-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refinement of gamma delta resolvase reveals a strikingly flexible molecule.
Structure, 2, 1994
6WAA
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BU of 6waa by Molmil
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ...
Authors:Noeske, J, Shu, W, Bellamacina, C.
Deposit date:2020-03-24
Release date:2020-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
7LHZ
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BU of 7lhz by Molmil
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25)
Descriptor: (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ...
Authors:Noeske, J, Shu, W, Bellamacina, C.
Deposit date:2021-01-26
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
1E52
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BU of 1e52 by Molmil
Solution structure of Escherichia coli UvrB C-terminal domain
Descriptor: EXCINUCLEASE ABC SUBUNIT
Authors:Alexandrovich, A.A, Kelly, G.G, Frenkiel, T.A, Moolenaar, G.F, Goosen, N.N, Sanderson, M.R, Lane, A.N.
Deposit date:2000-07-14
Release date:2001-07-12
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution Structure, Hydrodynamics and Thermodynamics of the Uvrb C-Terminal Domain.
J.Biomol.Struct.Dyn., 19, 2001

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