6ZT4
 
 | | Pentapeptide repeat protein MfpA from Mycobacterium smegmatis | | Descriptor: | 1,2-ETHANEDIOL, Pentapeptide repeat protein MfpA | | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | | Deposit date: | 2020-07-17 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZT3
 | | N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit complexed with ADPNP | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, MAGNESIUM ION, ... | | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | | Deposit date: | 2020-07-17 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7PQI
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7PQM
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7PQL
 | | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2021-09-17 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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2OB9
 | | Structure of bacteriophage HK97 tail assembly chaperone | | Descriptor: | Tail assembly chaperone | | Authors: | McGrath, T.E, Tuite, A, Bona, D, Saridakis, V, Edwards, A.M, Maxwell, K, Chirgadze, N.Y. | | Deposit date: | 2006-12-18 | | Release date: | 2007-12-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A conserved spiral structure for highly diverged phage tail assembly chaperones.
J.Mol.Biol., 425, 2013
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1XBI
 | | High resolution structure of Methanocaldococcus jannaschii L7AE | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 50S ribosomal protein L7Ae | | Authors: | Brown II, B.A, Suryadi, J, Lieberman, D.V, Tran, E.J, Maxwell, E.S. | | Deposit date: | 2004-08-30 | | Release date: | 2005-08-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Crystal Structure of the Methanocaldococcus jannaschii Multifunctional L7Ae RNA-Binding Protein Reveals an Induced-Fit Interaction with the Box C/D RNAs.
Biochemistry, 44, 2005
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9FOY
 | | Ternary complex of a Mycobacterium tuberculosis DNA gyrase core fusion with DNA and the inhibitor AMK32b | | Descriptor: | (1~{R})-2-[4-[[4-bromanyl-3,5-bis(fluoranyl)phenyl]methylamino]cyclohexyl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol, (1~{S})-2-[4-[[4-bromanyl-3,5-bis(fluoranyl)phenyl]methylamino]cyclohexyl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G)-3'), ... | | Authors: | Kokot, M, Hrast, M, Feng, L, Mitchenall, L.A, Lawson, D.M, Maxwell, A, Minovski, N, Anderluh, M. | | Deposit date: | 2024-06-12 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Unraveling the Mycobacterium tuberculosis DNA gyrase-DNA-NBTI complex
To be published
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4XTJ
 | | N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM KCl plus 100 mM NaCl condition | | Descriptor: | CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ... | | Authors: | Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M. | | Deposit date: | 2015-01-23 | | Release date: | 2015-04-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
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2BM7
 | | The Structure of MfpA (Rv3361c, P3221 Crystal form). The Pentapeptide Repeat Protein from Mycobacterium tuberculosis Folds as A Right- handed Quadrilateral Beta-helix. | | Descriptor: | PENTAPEPTIDE REPEAT FAMILY PROTEIN | | Authors: | Hegde, S.S, Vetting, M.W, Roderick, S.L, Mitchenall, L.A, Maxwell, A, Takiff, H.E, Blanchard, J.S. | | Deposit date: | 2005-03-09 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A Fluroquinolone Resistance Protein from Mycobacterium Tuberculosis that Mimics DNA
Science, 308, 2005
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2BM6
 | | The Structure of MfpA (Rv3361c, C2221 Crystal form). The Pentapeptide Repeat Protein from Mycobacterium tuberculosis Folds as A Right- handed Quadrilateral Beta-helix. | | Descriptor: | CESIUM ION, PENTAPEPTIDE REPEAT FAMILY PROTEIN | | Authors: | Hegde, S.S, Vetting, M.W, Roderick, S.L, Mitchenall, L.A, Maxwell, A, Takiff, H.E, Blanchard, J.S. | | Deposit date: | 2005-03-09 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Fluroquinolone Resistance Protein from Mycobacterium Tuberculosis that Mimics DNA
Science, 308, 2005
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2BM4
 | | The Structure of MfpA (Rv3361c, C2 Crystal form). The Pentapeptide Repeat Protein from Mycobacterium tuberculosis Folds as A Right- handed Quadrilateral Beta-helix. | | Descriptor: | PENTAPEPTIDE REPEAT FAMILY PROTEIN | | Authors: | Hegde, S.S, Vetting, M.W, Roderick, S.L, Mitchenall, L.A, Maxwell, A, Takiff, H.E, Blanchard, J.S. | | Deposit date: | 2005-03-09 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Fluroquinolone Resistance Protein from Mycobacterium Tuberculosis that Mimics DNA
Science, 308, 2005
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3DIV
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2Y3P
 | | Crystal structure of N-terminal domain of GyrA with the antibiotic simocyclinone D8 | | Descriptor: | DNA GYRASE SUBUNIT A, MAGNESIUM ION, SIMOCYCLINONE D8 | | Authors: | Edwards, M.J, Flatman, R.H, Mitchenall, L.A, Stevenson, C.E.M, Le, T.B.K, Clarke, T.A, McKay, A.R, Fiedler, H.-P, Buttner, M.J, Lawson, D.M, Maxwell, A. | | Deposit date: | 2010-12-22 | | Release date: | 2010-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | A Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8, Bound to DNA Gyrase.
Science, 326, 2009
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2BM5
 | | The Structure of MfpA (Rv3361c, P21 Crystal form). The Pentapeptide Repeat Protein from Mycobacterium tuberculosis Folds as A Right- handed Quadrilateral Beta-helix. | | Descriptor: | PENTAPEPTIDE REPEAT FAMILY PROTEIN, SULFATE ION | | Authors: | Hegde, S.S, Vetting, M.W, Roderick, S.L, Mitchenall, L.A, Maxwell, A, Takiff, H.E, Blanchard, J.S. | | Deposit date: | 2005-03-09 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Fluroquinolone Resistance Protein from Mycobacterium Tuberculosis that Mimics DNA
Science, 308, 2005
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4NK3
 | | Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655 | | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | | Deposit date: | 2013-11-12 | | Release date: | 2014-02-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin().
Bioorg.Med.Chem.Lett., 24, 2014
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2Y31
 | | Simocyclinone C4 bound form of TetR-like repressor SimR | | Descriptor: | CALCIUM ION, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Le, T.B.K, Stevenson, C.E.M, Fiedler, H.-P, Maxwell, A, Lawson, D.M, Buttner, M.J. | | Deposit date: | 2010-12-17 | | Release date: | 2011-03-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of the Tetr-Like Simocyclinone Efflux Pump Repressor, Simr, and the Mechanism of Ligand-Mediated Derepression.
J.Mol.Biol., 408, 2011
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2Y2Z
 | | ligand-free form of TetR-like repressor SimR | | Descriptor: | PUTATIVE REPRESSOR SIMREG2 | | Authors: | Le, T.B.K, Stevenson, C.E.M, Fiedler, H.-P, Maxwell, A, Lawson, D.M, Buttner, M.J. | | Deposit date: | 2010-12-17 | | Release date: | 2011-03-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of the Tetr-Like Simocyclinone Efflux Pump Repressor, Simr, and the Mechanism of Ligand-Mediated Derepression.
J.Mol.Biol., 408, 2011
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2Y30
 | | Simocyclinone D8 bound form of TetR-like repressor SimR | | Descriptor: | CHLORIDE ION, PUTATIVE REPRESSOR SIMREG2, SIMOCYCLINONE D8 | | Authors: | Le, T.B.K, Stevenson, C.E.M, Fiedler, H.-P, Maxwell, A, Lawson, D.M, Buttner, M.J. | | Deposit date: | 2010-12-17 | | Release date: | 2011-03-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of the Tetr-Like Simocyclinone Efflux Pump Repressor, Simr, and the Mechanism of Ligand-Mediated Derepression.
J.Mol.Biol., 408, 2011
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8BN6
 | | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | | Authors: | Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2022-11-12 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus .
J.Med.Chem., 66, 2023
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3JVO
 | | Crystal structure of bacteriophage HK97 gp6 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Gp6 | | Authors: | Lam, R, Tuite, A, Battaile, K.P, Edwards, A.M, Maxwell, K.L, Chirgadze, N.Y. | | Deposit date: | 2009-09-17 | | Release date: | 2009-11-24 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of bacteriophage HK97 gp6: defining a large family of head-tail connector proteins.
J.Mol.Biol., 395, 2010
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5NOF
 | | Anthranilate phosphoribosyltransferase from Thermococcus kodakaraensis | | Descriptor: | Anthranilate phosphoribosyltransferase, CHLORIDE ION, SODIUM ION, ... | | Authors: | Perveen, S, Rashid, N, Papageorgiou, A.C. | | Deposit date: | 2017-04-12 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Anthranilate phosphoribosyltransferase from the hyperthermophilic archaeon Thermococcus kodakarensis shows maximum activity with zinc and forms a unique dimeric structure.
FEBS Open Bio, 7, 2017
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6YD9
 | | Ecoli GyrB24 with inhibitor 16a | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | | Authors: | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | | Deposit date: | 2020-03-20 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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6V7U
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6V7X
 | | Structure of a phage-encoded quorum sensing anti-activator, Aqs1 bound to LasR | | Descriptor: | N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, QUORUM SENSING ANTI-ACTIVATOR PROTEIN AQS1, Transcriptional regulator LasR | | Authors: | Shah, M, Moraes, T.F, Maxwell, K.L. | | Deposit date: | 2019-12-09 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Mol.Cell, 81, 2021
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