6L01
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![BU of 6l01 by Molmil](/molmil-images/mine/6l01) | 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
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6KZV
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6KZZ
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![BU of 6kzz by Molmil](/molmil-images/mine/6kzz) | 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
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6M1J
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![BU of 6m1j by Molmil](/molmil-images/mine/6m1j) | 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
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6M1S
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![BU of 6m1s by Molmil](/molmil-images/mine/6m1s) | 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
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6F8J
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![BU of 6f8j by Molmil](/molmil-images/mine/6f8j) | Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-(1H-pyrazol-1-yl)-N-(pyridin-3-yl)pyridine-3-carboxamide | Descriptor: | 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B | Authors: | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | Deposit date: | 2017-12-13 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
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6F96
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![BU of 6f96 by Molmil](/molmil-images/mine/6f96) | Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(4-methoxyphenyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide | Descriptor: | 6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B | Authors: | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | Deposit date: | 2017-12-14 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
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6F86
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![BU of 6f86 by Molmil](/molmil-images/mine/6f86) | Crystal Structure of E. coli GyraseB 24kDa in complex with 4-(4-bromo-1H-pyrazol-1-yl)-6-[(ethylcarbamoyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide | Descriptor: | 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B | Authors: | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | Deposit date: | 2017-12-12 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
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6F94
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![BU of 6f94 by Molmil](/molmil-images/mine/6f94) | Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(3-methyphenyl)amino]-N-(3-methyphenyl)pyridine-3-carboxamide | Descriptor: | 6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide, DNA gyrase subunit B | Authors: | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | Deposit date: | 2017-12-14 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
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6MI6
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![BU of 6mi6 by Molmil](/molmil-images/mine/6mi6) | STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH AN ADP ANALOG | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine, ADENOSINE-5'-DIPHOSPHATE, Chemotaxis protein CheA, ... | Authors: | Crane, B.R, Muok, A.R, Chua, T.K, Le, H. | Deposit date: | 2018-09-19 | Release date: | 2018-12-05 | Last modified: | 2019-11-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Nucleotide Spin Labeling for ESR Spectroscopy of ATP-Binding Proteins. Appl.Magn.Reson., 49, 2018
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5IDM
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![BU of 5idm by Molmil](/molmil-images/mine/5idm) | Bifunctional histidine kinase CckA (domain, CA) in complex with c-di-GMP and AMPPNP/Mg2+ | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Cell cycle histidine kinase CckA, MAGNESIUM ION, ... | Authors: | Dubey, B.N, Schirmer, T. | Deposit date: | 2016-02-24 | Release date: | 2016-10-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cyclic di-GMP mediates a histidine kinase/phosphatase switch by noncovalent domain cross-linking. Sci Adv, 2, 2016
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5Z9E
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5Z9N
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5Z9F
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![BU of 5z9f by Molmil](/molmil-images/mine/5z9f) | 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
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5Z9L
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![BU of 5z9l by Molmil](/molmil-images/mine/5z9l) | 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
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5Z9Q
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![BU of 5z9q by Molmil](/molmil-images/mine/5z9q) | 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
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5Z4O
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5Z9B
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![BU of 5z9b by Molmil](/molmil-images/mine/5z9b) | Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine | Descriptor: | (3,4-dichlorophenyl)hydrazine, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-02 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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5Z9M
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5Z4H
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![BU of 5z4h by Molmil](/molmil-images/mine/5z4h) | Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 4-(4-hydroxyphenyl)sulfanylphenol, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-01-11 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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5Z9P
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1I5B
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![BU of 1i5b by Molmil](/molmil-images/mine/1i5b) | STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADPNP AND MANGANESE | Descriptor: | ACETATE ION, CHEMOTAXIS PROTEIN CHEA, MANGANESE (II) 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 (1.94 Å) | Cite: | Nucleotide binding by the histidine kinase CheA. Nat.Struct.Biol., 8, 2001
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1I5C
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![BU of 1i5c by Molmil](/molmil-images/mine/1i5c) | STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADP | Descriptor: | 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 (1.9 Å) | Cite: | Nucleotide binding by the histidine kinase CheA. Nat.Struct.Biol., 8, 2001
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1I5D
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![BU of 1i5d by Molmil](/molmil-images/mine/1i5d) | 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
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1I58
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![BU of 1i58 by Molmil](/molmil-images/mine/1i58) | 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
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