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PDB: 442 件
6CJL
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Candida albicans Hsp90 nucleotide binding domain in complex with radicicol
分子名称: Heat shock protein 90 homolog, MAGNESIUM ION, RADICICOL
著者Nation, C, Pizarro, J.C.
登録日2018-02-26
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6972 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
5IDM
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Bifunctional histidine kinase CckA (domain, CA) in complex with c-di-GMP and AMPPNP/Mg2+
分子名称: 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, ...
著者Dubey, B.N, Schirmer, T.
登録日2016-02-24
公開日2016-10-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cyclic di-GMP mediates a histidine kinase/phosphatase switch by noncovalent domain cross-linking.
Sci Adv, 2, 2016
4P8O
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BU of 4p8o by Molmil
S. aureus gyrase bound to an aminobenzimidazole urea inhibitor
分子名称: 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B
著者Jacobs, M.D.
登録日2014-03-31
公開日2014-10-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.
J.Med.Chem., 57, 2014
4PL9
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BU of 4pl9 by Molmil
Structure of the catalytic domain of ETR1 from Arabidopsis thaliana
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, ...
著者Panneerselvam, S, Mueller-Dieckmann, J.
登録日2014-05-16
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Model of the Cytosolic Domain of the Plant Ethylene Receptor 1 (ETR1).
J.Biol.Chem., 290, 2015
4CE3
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BU of 4ce3 by Molmil
Hsp90 N-terminal domain bound to macrolactam analogues of radicicol.
分子名称: 13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Parry-Morris, S, Prodromou, C.
登録日2013-11-08
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90.
Org.Biomol.Chem., 12, 2014
3U2D
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BU of 3u2d by Molmil
S. aureus GyrB ATPase domain in complex with small molecule inhibitor
分子名称: 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, DNA gyrase subunit B, MAGNESIUM ION
著者Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A.
登録日2011-10-03
公開日2012-01-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
8OZ9
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BU of 8oz9 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383
分子名称: 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine, Chemotaxis protein CheA
著者Adhav, A, Marina, A.
登録日2023-05-08
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383
To Be Published
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
分子名称: 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
著者Mima, M, Takeuchi, T, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B
著者Mima, M, Takeuchi, T, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: 4-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
著者Mima, M, Takeuchi, T, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: DNA gyrase subunit B, ~{N}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{H}-quinoline-3-carboxamide
著者Mima, M, Ushiyama, F.
登録日2019-09-25
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
8P3N
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BU of 8p3n by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8
分子名称: 9-METHYL-9H-PURIN-6-AMINE, Chemotaxis protein CheA
著者Adhav, A, Marina, A.
登録日2023-05-18
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8
To Be Published
8P59
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BU of 8p59 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333
分子名称: 7-(2-phenylethoxy)quinazolin-2-amine, Chemotaxis protein CheA
著者Adhav, A, Marina, A.
登録日2023-05-23
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333
To Be Published
8P3R
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BU of 8p3r by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK4
分子名称: 9~{H}-purine, Chemotaxis protein CheA
著者Adhav, A, Marina, A.
登録日2023-05-18
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK4
To Be Published
8PF2
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BU of 8pf2 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK16
分子名称: Chemotaxis protein CheA, RESORCINOL
著者Adhav, A, Marina, A.
登録日2023-06-15
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK16
To Be Published
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
分子名称: 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, ...
著者Xu, Z.H, Zhou, Z.
登録日2020-02-26
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献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
分子名称: 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
著者Boriack-Sjodin, P.A, Read, J, Eakin, A.E, Sherer, B.A.
登録日2011-09-15
公開日2011-11-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Pyrrolamide DNA gyrase inhibitors: Optimization of antibacterial activity and efficacy.
Bioorg.Med.Chem.Lett., 21, 2011
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
分子名称: 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid, DNA gyrase subunit B
著者Brvar, M, Renko, M, Perdih, A, Solmajer, T, Turk, D.
登録日2012-02-22
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based discovery of substituted 4,5'-bithiazoles as novel DNA gyrase inhibitors.
J.Med.Chem., 55, 2012
3U2K
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BU of 3u2k by Molmil
S. aureus GyrB ATPase domain in complex with a small molecule inhibitor
分子名称: 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
著者Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A.
登録日2011-10-03
公開日2012-01-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
8OYZ
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BU of 8oyz by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK10
分子名称: 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one, Chemotaxis protein CheA
著者Adhav, A, Marina, A.
登録日2023-05-05
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK10
To Be Published
8OYQ
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BU of 8oyq by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK13
分子名称: Chemotaxis protein CheA, quinazolin-2-amine
著者Adhav, A, Marina, A.
登録日2023-05-05
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK13
To Be Published
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
分子名称: 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, ...
著者Xu, Z.H, Zhou, Z.
登録日2020-02-26
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.254 Å)
主引用文献Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
3SL2
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BU of 3sl2 by Molmil
ATP Forms a Stable Complex with the Essential Histidine Kinase WalK (YycG) Domain
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Sensor histidine kinase yycG
著者Celikel, R, Veldore, V.H, Mathews, I, Devine, K, Varughese, K.I.
登録日2011-06-23
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献ATP forms a stable complex with the essential histidine kinase WalK (YycG) domain.
Acta Crystallogr.,Sect.D, 68, 2012
6MI6
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BU of 6mi6 by Molmil
STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH AN ADP ANALOG
分子名称: 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, ...
著者Crane, B.R, Muok, A.R, Chua, T.K, Le, H.
登録日2018-09-19
公開日2018-12-05
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Nucleotide Spin Labeling for ESR Spectroscopy of ATP-Binding Proteins.
Appl.Magn.Reson., 49, 2018
4CE2
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BU of 4ce2 by Molmil
Hsp90 N-terminal domain bound to macrolactam analogues of radicicol.
分子名称: (9E)-19-CHLORANYL-13-METHYL-16,18-BIS(OXIDANYL)-13-AZABICYCLO[13.4.0]NONADECA-1(15),9,16,18-TETRAENE-3,14-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Parry-Morris, S, Prodromou, C.
登録日2013-11-08
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Synthesis of macrolactam analogues of radicicol and their binding to heat shock protein Hsp90.
Org. Biomol. Chem., 12, 2014

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