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1AB4
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BU of 1ab4 by Molmil
59KDA FRAGMENT OF GYRASE A FROM E. COLI
Descriptor: GYRASE A
Authors:Cabral, J.H.M, Maxwell, A, Liddington, R.C.
Deposit date:1997-02-03
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the breakage-reunion domain of DNA gyrase.
Nature, 388, 1997
4WUB
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BU of 4wub by Molmil
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM KCl 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:2014-10-31
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
4WUC
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BU of 4wuc by Molmil
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 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:2014-10-31
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
8BN6
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BU of 8bn6 by Molmil
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
6Z1A
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BU of 6z1a by Molmil
Ternary complex of Staphylococcus aureus DNA gyrase with AMK12 and DNA
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Kolaric, A, Germe, T, Hrast, M, Stevenson, C.E.M, Lawson, D.M, Burton, N, Voros, J, Maxwell, A, Minovski, N, Anderluh, M.
Deposit date:2020-05-13
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds.
Nat Commun, 12, 2021
2Y3P
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BU of 2y3p by Molmil
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
7M3P
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BU of 7m3p by Molmil
Xrcc4-Spc110p(164-207) fusion
Descriptor: Xrcc4-Spc110p(164-207)
Authors:Brilot, A.F, Lyon, A.S, Zelter, A, Viswanath, S, Maxwell, A, MacCoss, M.J, Muller, E.G, Sali, A, Davis, T.N, Agard, D.A.
Deposit date:2021-03-18
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.0000186 Å)
Cite:CM1-driven assembly and activation of yeast gamma-tubulin small complex underlies microtubule nucleation.
Elife, 10, 2021
7M2Z
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BU of 7m2z by Molmil
Monomeric single-particle reconstruction of the Yeast gamma-TuSC
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Spindle pole body component SPC97, Spindle pole body component SPC98, ...
Authors:Brilot, A.F, Lyon, A.S, Zelter, A, Viswanath, S, Maxwell, A, MacCoss, M.J, Muller, E.G, Sali, A, Davis, T.N, Agard, D.A.
Deposit date:2021-03-17
Release date:2021-05-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:CM1-driven assembly and activation of yeast gamma-tubulin small complex underlies microtubule nucleation.
Elife, 10, 2021
7M2Y
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BU of 7m2y by Molmil
Closed conformation of the Yeast wild-type gamma-TuRC
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Spindle pole body component 110, Spindle pole body component SPC97, ...
Authors:Brilot, A.F, Lyon, A.S, Zelter, A, Viswanath, S, Maxwell, A, MacCoss, M.J, Muller, E.G, Sali, A, Davis, T.N, Agard, D.A.
Deposit date:2021-03-17
Release date:2021-05-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:CM1-driven assembly and activation of yeast gamma-tubulin small complex underlies microtubule nucleation.
Elife, 10, 2021
7M2W
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BU of 7m2w by Molmil
Engineered disulfide cross-linked closed conformation of the Yeast gamma-TuRC(SS)
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Spindle pole body component 110, Spindle pole body component SPC97, ...
Authors:Brilot, A.F, Lyon, A.S, Zelter, A, Viswanath, S, Maxwell, A, MacCoss, M.J, Muller, E.G, Sali, A, Davis, T.N, Agard, D.A.
Deposit date:2021-03-17
Release date:2021-05-12
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:CM1-driven assembly and activation of yeast gamma-tubulin small complex underlies microtubule nucleation.
Elife, 10, 2021
7M2X
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BU of 7m2x by Molmil
Open conformation of the Yeast wild-type gamma-TuRC
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Spindle pole body component 110, Spindle pole body component SPC97, ...
Authors:Brilot, A.F, Lyon, A.S, Zelter, A, Viswanath, S, Maxwell, A, MacCoss, M.J, Muller, E.G, Sali, A, Davis, T.N, Agard, D.A.
Deposit date:2021-03-17
Release date:2021-05-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:CM1-driven assembly and activation of yeast gamma-tubulin small complex underlies microtubule nucleation.
Elife, 10, 2021
4WUD
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BU of 4wud by Molmil
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from no salt 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:2014-10-31
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
4XTJ
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BU of 4xtj by Molmil
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
4CKK
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BU of 4ckk by Molmil
Apo structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit
Descriptor: DNA GYRASE SUBUNIT A
Authors:Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A.
Deposit date:2014-01-07
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to DNA Gyrase Gives Fresh Insight Into the Mechanism of Inhibition.
J.Mol.Biol., 426, 2014
4CKL
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BU of 4ckl by Molmil
Structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit with simocyclinone D8 bound
Descriptor: DNA GYRASE SUBUNIT A, SIMOCYCLINONE D8
Authors:Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A.
Deposit date:2014-01-07
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to DNA Gyrase Gives Fresh Insight Into the Mechanism of Inhibition.
J.Mol.Biol., 426, 2014
6ZT4
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BU of 6zt4 by Molmil
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
6ZT5
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BU of 6zt5 by Molmil
Complex between a homodimer of Mycobacterium smegmatis MfpA and a single copy of the N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit
Descriptor: DNA gyrase subunit B, Pentapeptide repeat protein MfpA, SULFATE 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 (2.2 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
6ZT3
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BU of 6zt3 by Molmil
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
7PTF
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BU of 7ptf by Molmil
Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with novobiocin
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC 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:2021-09-27
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.32 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
7PQL
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BU of 7pql by Molmil
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
7PTG
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BU of 7ptg by Molmil
Pseudomonas aeruginosa DNA gyrase B 24kDa 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, 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:2021-09-27
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 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
2Y30
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BU of 2y30 by Molmil
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
7PQI
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BU of 7pqi by Molmil
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
7PQM
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BU of 7pqm by Molmil
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
2Y2Z
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BU of 2y2z by Molmil
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:2019-05-08
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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