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8C41
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BU of 8c41 by Molmil
High resolution structure of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*GP*AP*AP*T)-3'), ...
Authors:Najmudin, S, Pan, X.S, Wang, B, Chayen, N.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2022-12-30
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:The nature of the molecular interactions at high resolution of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin.
To Be Published
2DBE
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BU of 2dbe by Molmil
CRYSTAL STRUCTURE OF A BERENIL-DODECANUCLEOTIDE COMPLEX: THE ROLE OF WATER IN SEQUENCE-SPECIFIC LIGAND BINDING
Descriptor: BERENIL, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Brown, D.G, Sanderson, M.R, Skelly, J.V, Jenkins, T.C, Brown, T, Garman, E, Stuart, D.I, Neidle, S.
Deposit date:1990-03-19
Release date:1991-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a berenil-dodecanucleotide complex: the role of water in sequence-specific ligand binding.
EMBO J., 9, 1990
5EIX
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BU of 5eix by Molmil
QUINOLONE-STABILIZED CLEAVAGE COMPLEX OF TOPOISOMERASE IV FROM KLEBSIELLA 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 topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A, MAGNESIUM ION, ...
Authors:Veselkov, D.A, Laponogov, I, Pan, X.-S, Selvarajah, J, Branstrom, A, Fisher, L.M, Sanderson, M.R.
Deposit date:2015-10-30
Release date:2016-04-13
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (3.35 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 D Struct Biol, 72, 2016
2NOV
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BU of 2nov by Molmil
Breakage-reunion domain of S.pneumoniae topo IV: crystal structure of a gram-positive quinolone target
Descriptor: DNA topoisomerase 4 subunit A
Authors:Laponogov, I, Veselkov, D.A, Sohi, M.K, Pan, X.S, Achari, A, Yang, C, Ferrara, J.D, Fisher, L.M, Sanderson, M.R.
Deposit date:2006-10-26
Release date:2006-11-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Breakage-Reunion Domain of Streptococcus pneumoniae Topoisomerase IV: Crystal Structure of a Gram-Positive Quinolone Target.
PLoS ONE, 2, 2007
7PB3
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BU of 7pb3 by Molmil
Structural and Functional analysis of the Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii
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:2021-07-30
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.841 Å)
Cite:Structural and Functional analysis of the Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii
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
3K9F
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BU of 3k9f by Molmil
Detailed structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
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 (5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3'), ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, Fisher, L.M, Sanderson, M.R.
Deposit date:2009-10-15
Release date:2009-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
3KSB
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BU of 3ksb by Molmil
Detailed structural insight into the DNA cleavage complex of type IIA topoisomerases (re-sealed form)
Descriptor: 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*TP*GP*AP*CP*TP*AP*TP*GP*CP*AP*CP*GP*TP*AP*AP*AP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*TP*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3', DNA topoisomerase 4 subunit A, ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2009-11-21
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
3KSA
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BU of 3ksa by Molmil
Detailed structural insight into the DNA cleavage complex of type IIA topoisomerases (cleaved form)
Descriptor: 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*T)-3', 5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3', ...
Authors:Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2009-11-21
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
3LTN
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BU of 3ltn by Molmil
Inhibitor-stabilized topoisomerase IV-DNA cleavage complex (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(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*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:2010-02-16
Release date:2010-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
5J5Q
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BU of 5j5q by Molmil
AMP-PNP-stabilized ATPase domain of topoisomerase IV from Streptococcus pneumoniae, complex type II
Descriptor: DNA (5'-D(*GP*CP*AP*TP*AP*TP*AP*TP*AP*TP*AP*TP*GP*C)-3'), DNA topoisomerase 4 subunit B, MAGNESIUM ION, ...
Authors:Laponogov, I, Pan, X.-S, Skamrova, G, Umrekar, T, Fisher, L.M, Sanderson, M.R.
Deposit date:2016-04-03
Release date:2017-07-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Trapping of the transport-segment DNA by the ATPase domains of a type II topoisomerase.
Nat Commun, 9, 2018
5J5P
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BU of 5j5p by Molmil
AMP-PNP-stabilized ATPase domain of topoisomerase IV from Streptococcus pneumoniae, complex type I
Descriptor: DNA (5'-D(*GP*CP*GP*CP*GP*C)-3'), DNA topoisomerase 4 subunit B, MAGNESIUM ION, ...
Authors:Laponogov, I, Pan, X.-S, Skamrova, G, Umrekar, T, Fisher, L.M, Sanderson, M.R.
Deposit date:2016-04-03
Release date:2017-07-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Trapping of the transport-segment DNA by the ATPase domains of a type II topoisomerase.
Nat Commun, 9, 2018
2KI5
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BU of 2ki5 by Molmil
HERPES SIMPLEX TYPE-1 THYMIDINE KINASE IN COMPLEX WITH THE DRUG ACICLOVIR AT 1.9A RESOLUTION
Descriptor: 9-HYROXYETHOXYMETHYLGUANINE, 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:1999-02-12
Release date:1999-03-04
Last modified:2023-08-30
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
2MA9
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BU of 2ma9 by Molmil
HIV-1 Vif SOCS-box and Elongin BC solution structure
Descriptor: Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, Virion infectivity factor
Authors:Lu, Z, Bergeron, J.R, Atkinson, R.A, Schaller, T, Veselkov, D.A, Oregioni, A, Yang, Y, Matthews, S.J, Malim, M.H, Sanderson, M.R.
Deposit date:2013-07-01
Release date:2013-12-11
Last modified:2016-04-27
Method:SOLUTION NMR
Cite:Insight into the HIV-1 Vif SOCS-box-ElonginBC interaction.
OPEN BIOLOGY, 3, 2013
1BDN
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BU of 1bdn by Molmil
CRYSTAL LATTICE PACKING IS IMPORTANT IN DETERMINING THE BEND OF A DNA DODECAMER CONTAINING AN ADENINE TRACT
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*TP*TP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:DiGabriele, A.D, Sanderson, M.R, Steitz, T.A.
Deposit date:1989-07-25
Release date:1991-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal lattice packing is important in determining the bend of a DNA dodecamer containing an adenine tract.
Proc.Natl.Acad.Sci.USA, 86, 1989
3FOE
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BU of 3foe by Molmil
Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Descriptor: 7-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA (5'-D(P*AP*CP*CP*AP*AP*GP*GP*TP*CP*AP*TP*GP*AP*AP*T)-3'), DNA (5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3'), ...
Authors:Laponogov, I, Sohi, M.K, Veselkov, D.A, Pan, X.-S, Sawhney, R, Thompson, A.W, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2008-12-30
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4.001 Å)
Cite:Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Nat.Struct.Mol.Biol., 16, 2009
3FOF
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BU of 3fof by Molmil
Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
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 (5'-D(P*AP*CP*CP*AP*AP*GP*GP*TP*CP*AP*TP*GP*AP*AP*T)-3'), DNA (5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3'), ...
Authors:Laponogov, I, Sohi, M.K, Veselkov, D.A, Pan, X.-S, Sawhney, R, Thompson, A.W, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
Deposit date:2008-12-30
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases
Nat.Struct.Mol.Biol., 16, 2009
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
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

 

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