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1ID0
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BU of 1id0 by Molmil
CRYSTAL STRUCTURE OF THE NUCLEOTIDE BOND CONFORMATION OF PHOQ KINASE DOMAIN
Descriptor: MAGNESIUM ION, PHOQ HISTIDINE KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Marina, A, Mott, C, Auyzenberg, A, Waldburger, C.D, Hendrickson, W.A.
Deposit date:2001-04-02
Release date:2001-10-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and mutational analysis of the PhoQ histidine kinase catalytic domain. Insight into the reaction mechanism.
J.Biol.Chem., 276, 2001
1I58
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BU of 1i58 by Molmil
STRUCTURE OF THE HISTIDINE KINASE CHEA ATP-BINDING DOMAIN IN COMPLEX WITH ATP ANALOG ADPCP AND MAGNESIUM
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHEMOTAXIS PROTEIN CHEA, ...
Authors:Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I.
Deposit date:2001-02-26
Release date:2001-08-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nucleotide binding by the histidine kinase CheA.
Nat.Struct.Biol., 8, 2001
1I5A
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BU of 1i5a by Molmil
STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADPCP AND MANGANESE
Descriptor: CHEMOTAXIS PROTEIN CHEA, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I.
Deposit date:2001-02-26
Release date:2001-08-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleotide binding by the histidine kinase CheA.
Nat.Struct.Biol., 8, 2001
1I5D
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BU of 1i5d by Molmil
STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH TNP-ATP
Descriptor: CHEMOTAXIS PROTEIN CHEA, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, SULFATE ION
Authors:Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I.
Deposit date:2001-02-26
Release date:2001-08-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Nucleotide binding by the histidine kinase CheA.
Nat.Struct.Biol., 8, 2001
6KZX
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BU of 6kzx by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
Descriptor: 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
Authors:Mima, M, Takeuchi, T, Ushiyama, F.
Deposit date:2019-09-25
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
6L01
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BU of 6l01 by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
Descriptor: 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B
Authors:Mima, M, Takeuchi, T, Ushiyama, F.
Deposit date:2019-09-25
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
6BLK
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BU of 6blk by Molmil
Mycobacterial sensor histidine kinase MprB
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Signal transduction histidine-protein kinase/phosphatase mprB
Authors:Li, J, Korotkova, N, Korotkov, K.V.
Deposit date:2017-11-10
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Mycobacterial sensor histidine kinase MprB
to be published
6KZV
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BU of 6kzv by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
Descriptor: DNA gyrase subunit B, ~{N}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{H}-quinoline-3-carboxamide
Authors:Mima, M, Ushiyama, F.
Deposit date:2019-09-25
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
6KZZ
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BU of 6kzz by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative
Descriptor: 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
Authors:Mima, M, Takeuchi, T, Ushiyama, F.
Deposit date:2019-09-25
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
6CJI
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BU of 6cji by Molmil
Candida albicans Hsp90 nucleotide binding domain
Descriptor: 1,2-ETHANEDIOL, Heat shock protein 90 homolog
Authors:Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC)
Deposit date:2018-02-26
Release date:2019-01-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6M1S
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BU of 6m1s by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o
Descriptor: 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2020-02-26
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
3TTZ
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BU of 3ttz by Molmil
Crystal structure of a topoisomerase ATPase inhibitor
Descriptor: 2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid, DNA gyrase subunit B, MAGNESIUM ION
Authors:Boriack-Sjodin, P.A, Read, J, Eakin, A.E, Sherer, B.A.
Deposit date:2011-09-15
Release date:2011-11-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Pyrrolamide DNA gyrase inhibitors: Optimization of antibacterial activity and efficacy.
Bioorg.Med.Chem.Lett., 21, 2011
6M1J
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BU of 6m1j by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x
Descriptor: 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2020-02-26
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
3U2K
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BU of 3u2k by Molmil
S. aureus GyrB ATPase domain in complex with a small molecule inhibitor
Descriptor: 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, DNA gyrase subunit B, MAGNESIUM ION
Authors:Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A.
Deposit date:2011-10-03
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
1KZN
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BU of 1kzn by Molmil
Crystal Structure of E. coli 24kDa Domain in Complex with Clorobiocin
Descriptor: CLOROBIOCIN, DNA GYRASE SUBUNIT B
Authors:Lafitte, D, Lamour, V, Tsvetkov, P.O, Makarov, A.A, Klich, M, Deprez, P, Moras, D, Briand, C, Gilli, R.
Deposit date:2002-02-07
Release date:2002-06-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA gyrase interaction with coumarin-based inhibitors: the role of the hydroxybenzoate isopentenyl moiety and the 5'-methyl group of the noviose.
Biochemistry, 41, 2002
3U67
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BU of 3u67 by Molmil
Crystal structure of the N-terminal domain of Hsp90 from Leishmania major(LmjF33.0312)in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 83-1, ...
Authors:Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Mackenzie, F, Fairlamb, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2011-10-12
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
3EHG
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BU of 3ehg by Molmil
Crystal structure of the ATP-binding domain of DesK in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, IODIDE ION, MAGNESIUM ION, ...
Authors:Trajtenberg, F, Buschiazzo, A.
Deposit date:2008-09-12
Release date:2009-09-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural and enzymatic insights into the ATP binding and autophosphorylation mechanism of a sensor histidine kinase
J.Biol.Chem., 285, 2010
5Z9E
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BU of 5z9e by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-02
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9N
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BU of 5z9n by Molmil
S.aureus GyrB ATPase domain in complex with 4,6-dichloro-2-(methylthio)pyrimidine
Descriptor: 4,6-dichloro-2-(methylsulfanyl)pyrimidine, DNA gyrase subunit B, SULFATE ION
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9F
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BU of 5z9f by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9L
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BU of 5z9l by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 2-fluoro-4-hydroxybenzonitrile, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-03
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9Q
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BU of 5z9q by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
Descriptor: 1H-benzimidazol-2-amine, 5-phenyl-1H-pyrazol-3-amine, DNA gyrase subunit B, ...
Authors:Huang, X, Zhou, H.
Deposit date:2018-02-04
Release date:2018-12-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
4DUH
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BU of 4duh by Molmil
Crystal structure of 24 kDa domain of E. coli DNA gyrase B in complex with small molecule inhibitor
Descriptor: 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid, DNA gyrase subunit B
Authors:Brvar, M, Renko, M, Perdih, A, Solmajer, T, Turk, D.
Deposit date:2012-02-22
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based discovery of substituted 4,5'-bithiazoles as novel DNA gyrase inhibitors.
J.Med.Chem., 55, 2012
4GFN
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BU of 4gfn by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic
Descriptor: (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL
Authors:Bensen, D.C, Trzoss, M, Tari, L.W.
Deposit date:2012-08-03
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
4GEE
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BU of 4gee by Molmil
Pyrrolopyrimidine inhibitors of DNA gyrase B and topoisomerase IV, part I: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Descriptor: (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL
Authors:Bensen, D.C, Chen, Z, Tari, L.W.
Deposit date:2012-08-01
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013

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