1KI6
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![BU of 1ki6 by Molmil](/molmil-images/mine/1ki6) | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH A 5-IODOURACIL ANHYDROHEXITOL NUCLEOSIDE | Descriptor: | 1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(5-IODOURACIL-1-YL)-D-ABABINO-HEXITOL, SULFATE ION, THYMIDINE KINASE | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Herdewijn, P, Ostrowski, T, Summers, W.C, Sanderson, M.R. | Deposit date: | 1998-05-18 | Release date: | 1998-12-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1KI4
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![BU of 1ki4 by Molmil](/molmil-images/mine/1ki4) | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOTHIENYLDEOXYURIDINE | Descriptor: | 5-BROMOTHIENYLDEOXYURIDINE, SULFATE ION, THYMIDINE KINASE | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R. | Deposit date: | 1998-05-18 | Release date: | 1998-12-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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4JUO
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![BU of 4juo by Molmil](/molmil-images/mine/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
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![BU of 4kpe by Molmil](/molmil-images/mine/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: | 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
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1KI2
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![BU of 1ki2 by Molmil](/molmil-images/mine/1ki2) | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH GANCICLOVIR | Descriptor: | 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE, SULFATE ION, THYMIDINE KINASE | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Brown, D.G, Visse, R, Sandhu, G, Davies, A, Rizkallah, P.J, Melitz, C, Summers, W.C, Sanderson, M.R. | Deposit date: | 1998-05-15 | Release date: | 1998-12-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1KI3
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![BU of 1ki3 by Molmil](/molmil-images/mine/1ki3) | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH PENCICLOVIR | Descriptor: | 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE, SULFATE ION, THYMIDINE KINASE | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Jarvest, R.L, Summers, W.C, Sanderson, M.R. | Deposit date: | 1998-05-15 | Release date: | 1999-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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3FOE
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![BU of 3foe by Molmil](/molmil-images/mine/3foe) | 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
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3FOF
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![BU of 3fof by Molmil](/molmil-images/mine/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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1D63
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![BU of 1d63 by Molmil](/molmil-images/mine/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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4Z2D
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![BU of 4z2d by Molmil](/molmil-images/mine/4z2d) | 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
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4Z2C
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![BU of 4z2c by Molmil](/molmil-images/mine/4z2c) | 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
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4Z53
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![BU of 4z53 by Molmil](/molmil-images/mine/4z53) | 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
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4Z2E
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![BU of 4z2e by Molmil](/molmil-images/mine/4z2e) | 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
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4Z3O
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![BU of 4z3o by Molmil](/molmil-images/mine/4z3o) | 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
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4Z4Q
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![BU of 4z4q by Molmil](/molmil-images/mine/4z4q) | 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
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1QHI
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![BU of 1qhi by Molmil](/molmil-images/mine/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
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![BU of 1pos by Molmil](/molmil-images/mine/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: | 2024-02-14 | 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
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1QBG
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![BU of 1qbg by Molmil](/molmil-images/mine/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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1QOJ
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![BU of 1qoj by Molmil](/molmil-images/mine/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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1DNM
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![BU of 1dnm by Molmil](/molmil-images/mine/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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1BDN
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![BU of 1bdn by Molmil](/molmil-images/mine/1bdn) | |
6WAA
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![BU of 6waa by Molmil](/molmil-images/mine/6waa) | 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
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2RSL
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![BU of 2rsl by Molmil](/molmil-images/mine/2rsl) | |
7LHZ
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![BU of 7lhz by Molmil](/molmil-images/mine/7lhz) | 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
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1E52
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![BU of 1e52 by Molmil](/molmil-images/mine/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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