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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
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
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
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
6MI6
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BU of 6mi6 by Molmil
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
3G7B
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BU of 3g7b by Molmil
Staphylococcus aureus Gyrase B co-complex with METHYL ({5-[4-(4-HYDROXYPIPERIDIN-1-YL)-2-PHENYL-1,3-THIAZOL-5-YL]-1H-PYRAZOL-3-YL}METHYL)CARBAMATE inhibitor
Descriptor: DNA gyrase subunit B, methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl}methyl)carbamate
Authors:Wei, Y, Charisfon, P.
Deposit date:2009-02-09
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
3FV5
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BU of 3fv5 by Molmil
Crystal Structure of E. coli Topoisomerase IV co-complexed with inhibitor
Descriptor: 1-(4-acetyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea, DNA topoisomerase 4 subunit B
Authors:Wei, Y, Charifson, P, LeTiran, A.
Deposit date:2009-01-15
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and syntheses of novel C7-derived-aminobenzimidazole ureas: bacterial gyrase/topoisomerase IV inhibitors with potent Gram-positve antibacterial activity
To be Published
3G7E
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BU of 3g7e by Molmil
Crystal structure of E. coli Gyrase B co-complexed with PROP-2-YN-1-YL {[5-(4-PIPERIDIN-1-YL-2-PYRIDIN-3-YL-1,3-THIAZOL-5-YL)-1H-PYRAZOL-3-YL]METHYL}CARBAMATE inhibitor
Descriptor: DNA gyrase subunit B, prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methyl}carbamate
Authors:Wei, Y, Charifson, P.
Deposit date:2009-02-09
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
3G75
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BU of 3g75 by Molmil
Crystal structure of Staphylococcus aureus Gyrase B co-complexed with 4-METHYL-5-[3-(METHYLSULFANYL)-1H-PYRAZOL-5-YL]-2-THIOPHEN-2-YL-1,3-THIAZOLE inhibitor
Descriptor: 4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole, DNA gyrase subunit B
Authors:Wei, Y, Charifson, P.
Deposit date:2009-02-09
Release date:2010-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
3H80
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BU of 3h80 by Molmil
Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213
Descriptor: 1,2-ETHANEDIOL, Heat shock protein 83-1, MAGNESIUM ION, ...
Authors:Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, Mackenzie, F, Fairlamb, A, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2009-04-28
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213
To be Published
8H70
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BU of 8h70 by Molmil
Crystal structure of the catalytic ATP-binding domain of the PhoR sensor histidine kinase from Vibrio cholera
Descriptor: DI(HYDROXYETHYL)ETHER, Phosphate regulon sensor protein PhoR
Authors:Jia, R, Zhao, W, Hattori, M.
Deposit date:2022-10-18
Release date:2023-02-15
Last modified:2023-06-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of the catalytic ATP-binding domain of the PhoR sensor histidine kinase.
Proteins, 91, 2023
4XCL
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BU of 4xcl by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with AGS
Descriptor: Heat shock cognate 90 kDa protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Raman, S, Suguna, K.
Deposit date:2014-12-18
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90
Sci Rep, 5, 2015
4XC0
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BU of 4xc0 by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with ACP
Descriptor: DI(HYDROXYETHYL)ETHER, Heat shock cognate 90 kDa protein, MAGNESIUM ION, ...
Authors:Raman, S, Suguna, K.
Deposit date:2014-12-17
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90
Sci Rep, 5, 2015
4XCJ
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BU of 4xcj by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock cognate 90 kDa protein, MAGNESIUM ION
Authors:Raman, S, Suguna, K.
Deposit date:2014-12-18
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90
Sci Rep, 5, 2015
4XDM
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BU of 4xdm by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with Geldanamycin
Descriptor: DI(HYDROXYETHYL)ETHER, GELDANAMYCIN, Heat shock cognate 90 kDa protein
Authors:Raman, S, Suguna, K.
Deposit date:2014-12-19
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90
Sci Rep, 5, 2015
4XE2
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BU of 4xe2 by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with peptide
Descriptor: Heat shock cognate 90 kDa protein
Authors:Raman, S, Suguna, K.
Deposit date:2014-12-22
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90.
Sci Rep, 5, 2015
4XKA
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BU of 4xka by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in hexagonal form with glycerol
Descriptor: GLYCEROL, Heat shock cognate 90 kDa protein, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Raman, S, Suguna, K.
Deposit date:2015-01-10
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90
Sci Rep, 5, 2015
4XD8
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BU of 4xd8 by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with ANP
Descriptor: Heat shock cognate 90 kDa protein, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Raman, S, Suguna, K.
Deposit date:2014-12-19
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90
Sci Rep, 5, 2015
4XKK
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BU of 4xkk by Molmil
Crystal structure of N-terminal domain of Hsp90 from Dictyostelium discoideum
Descriptor: Heat shock cognate 90 kDa protein
Authors:Raman, S, Suguna, K.
Deposit date:2015-01-12
Release date:2015-01-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heat shock protein 90 regulates development in Dictyostelium discoideum
J. Mol. Biol., 383, 2008
4XKO
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BU of 4xko by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in hexagonal form with PEG
Descriptor: DI(HYDROXYETHYL)ETHER, Heat shock cognate 90 kDa protein, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Raman, S, Suguna, K.
Deposit date:2015-01-12
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90
Sci Rep, 5, 2015
4ZKI
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BU of 4zki by Molmil
The crystal structure of Histidine Kinase YycG with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Histidine kinase
Authors:Cai, Y.
Deposit date:2015-04-30
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Conformational dynamics of the essential sensor histidine kinase WalK
Acta Crystallogr D Struct Biol, 73, 2017
3A0W
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BU of 3a0w by Molmil
Catalytic domain of histidine kinase ThkA (TM1359) for MAD phasing (nucleotide free form 2, orthorombic)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(ETHYLMERCURI-THIO)-BENZOIC ACID, ETHYL MERCURY ION, ...
Authors:Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y.
Deposit date:2009-03-24
Release date:2009-10-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009
3A0X
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BU of 3a0x by Molmil
Catalytic domain of histidine kinase ThkA (TM1359) (nucleotide free form 1: ammomium phosphate, monoclinic)
Descriptor: Sensor protein
Authors:Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y.
Deposit date:2009-03-25
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009

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