3FOF
 
 | | 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
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3LTN
 | | 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: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
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3K9F
 | | 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
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3RAE
 | | 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: | 2024-10-30 | | 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
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3RAD
 | | 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: | 2024-11-06 | | 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
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3RAF
 | | 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 | | Last modified: | 2024-10-30 | | 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
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3KSB
 | | 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
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3KSA
 | | 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: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
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1BDN
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9GEF
 | | Experimental localization of metal-binding sites reveals the role of metal ions in the delafloxacin-stabilized Streptococcus pneumoniae topoisomerase IV DNA cleavage complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wang, B, Najmudin, S, Pan, X.-S, Mykhaylyk, V, Orr, C, Wagner, A, Govada, L, Chayen, N.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2024-08-08 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Experimental localization of metal-binding sites reveals the role of metal ions in type II DNA topoisomerases.
Proc.Natl.Acad.Sci.USA, 121, 2024
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4JUO
 | | 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
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4KPE
 | | 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: | 2024-10-16 | | 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
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4KOE
 | | 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: | 2024-11-06 | | 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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4KPF
 | | 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: | 2024-10-16 | | 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
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4I3H
 | | 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
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8QMB
 | | Nucleant-assisted 2.0 A resolution structure of the Streptococcus pneumoniae topoisomerase IV-V18mer DNA complex with the novel fluoroquinolone Delafloxacin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Najmudin, S, Pan, X.S, Wang, B, Chayen, N.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2023-09-21 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2 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
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8QMC
 | | High resolution structure of the Streptococcus pneumoniae topoisomerase IV-complex with the V-site 18mer dsDNA and novel fluoroquinolone Delafloxacin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Najmudin, S, Pan, X.S, Wang, B, Chayen, N.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2023-09-21 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.402 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
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1D63
 | | 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
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1DNM
 | | 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
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1E52
 | | 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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1QBG
 | | 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
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1QHI
 | | 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
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1POS
 | | 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: | 2024-10-23 | | 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
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1QOJ
 | | Crystal Structure of E.coli UvrB C-terminal domain, and a model for UvrB-UvrC interaction. | | Descriptor: | UVRB | | Authors: | Sohi, M, Alexandrovich, A, Moolenaar, G, Visse, R, Goosen, N, Vernede, X, Fontecilla-Camps, J, Champness, J, Sanderson, M.R. | | Deposit date: | 1999-11-10 | | Release date: | 2000-11-10 | | Last modified: | 2019-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of E.Coli Uvrb C-Terminal Domain, and a Model for Uvrb-Uvrc Interaction
FEBS Lett., 465, 2000
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5EIX
 | | 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: | 2024-05-08 | | 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
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