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3U2K
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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
1I5C
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BU of 1i5c by Molmil
STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHEMOTAXIS PROTEIN CHEA
著者Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I.
登録日2001-02-26
公開日2001-08-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleotide binding by the histidine kinase CheA.
Nat.Struct.Biol., 8, 2001
1I5B
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BU of 1i5b by Molmil
STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADPNP AND MANGANESE
分子名称: ACETATE ION, CHEMOTAXIS PROTEIN CHEA, MANGANESE (II) ION, ...
著者Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I.
登録日2001-02-26
公開日2001-08-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Nucleotide binding by the histidine kinase CheA.
Nat.Struct.Biol., 8, 2001
5Z9E
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BU of 5z9e by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Huang, X, Zhou, H.
登録日2018-02-02
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 4,6-dichloro-2-(methylsulfanyl)pyrimidine, DNA gyrase subunit B, SULFATE ION
著者Huang, X, Zhou, H.
登録日2018-02-03
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9F
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Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ...
著者Huang, X, Zhou, H.
登録日2018-02-03
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献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
分子名称: 1H-benzimidazol-2-amine, 2-fluoro-4-hydroxybenzonitrile, DNA gyrase subunit B, ...
著者Huang, X, Zhou, H.
登録日2018-02-03
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 1H-benzimidazol-2-amine, 5-phenyl-1H-pyrazol-3-amine, DNA gyrase subunit B, ...
著者Huang, X, Zhou, H.
登録日2018-02-04
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z4O
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BU of 5z4o by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1H-benzimidazol-2-amine, 4-phenoxyphenol, DNA gyrase subunit B, ...
著者Huang, X, Zhou, H.
登録日2018-01-12
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9B
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BU of 5z9b by Molmil
Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine
分子名称: (3,4-dichlorophenyl)hydrazine, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ...
著者Huang, X, Zhou, H.
登録日2018-02-02
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9M
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BU of 5z9m by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1-benzofuran-2-carboxylic acid, DNA gyrase subunit B, SULFATE ION
著者Huang, X, Zhou, H.
登録日2018-02-03
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
1I5A
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BU of 1i5a by Molmil
STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADPCP AND MANGANESE
分子名称: CHEMOTAXIS PROTEIN CHEA, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I.
登録日2001-02-26
公開日2001-08-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleotide binding by the histidine kinase CheA.
Nat.Struct.Biol., 8, 2001
5Z4H
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BU of 5z4h by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1H-benzimidazol-2-amine, 4-(4-hydroxyphenyl)sulfanylphenol, DNA gyrase subunit B, ...
著者Huang, X, Zhou, H.
登録日2018-01-11
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
1I5D
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BU of 1i5d by Molmil
STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH TNP-ATP
分子名称: CHEMOTAXIS PROTEIN CHEA, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, SULFATE ION
著者Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I.
登録日2001-02-26
公開日2001-08-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Nucleotide binding by the histidine kinase CheA.
Nat.Struct.Biol., 8, 2001
5Z9P
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BU of 5z9p by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, MAGNESIUM ION
著者Huang, X, Zhou, H.
登録日2018-02-04
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
1KZN
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BU of 1kzn by Molmil
Crystal Structure of E. coli 24kDa Domain in Complex with Clorobiocin
分子名称: CLOROBIOCIN, DNA GYRASE SUBUNIT B
著者Lafitte, D, Lamour, V, Tsvetkov, P.O, Makarov, A.A, Klich, M, Deprez, P, Moras, D, Briand, C, Gilli, R.
登録日2002-02-07
公開日2002-06-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
1I59
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BU of 1i59 by Molmil
STRUCTURE OF THE HISTIDINE KINASE CHEA ATP-BINDING DOMAIN IN COMPLEX WITH ADPNP AND MAGENSIUM
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHEMOTAXIS PROTEIN CHEA, ...
著者Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I.
登録日2001-02-26
公開日2001-08-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nucleotide binding by the histidine kinase CheA.
Nat.Struct.Biol., 8, 2001
1ID0
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BU of 1id0 by Molmil
CRYSTAL STRUCTURE OF THE NUCLEOTIDE BOND CONFORMATION OF PHOQ KINASE DOMAIN
分子名称: MAGNESIUM ION, PHOQ HISTIDINE KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Marina, A, Mott, C, Auyzenberg, A, Waldburger, C.D, Hendrickson, W.A.
登録日2001-04-02
公開日2001-10-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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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STRUCTURE OF THE HISTIDINE KINASE CHEA ATP-BINDING DOMAIN IN COMPLEX WITH ATP ANALOG ADPCP AND MAGNESIUM
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHEMOTAXIS PROTEIN CHEA, ...
著者Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I.
登録日2001-02-26
公開日2001-08-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nucleotide binding by the histidine kinase CheA.
Nat.Struct.Biol., 8, 2001
8DX0
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BU of 8dx0 by Molmil
VanSC CA domain
分子名称: Histidine kinase, MAGNESIUM ION
著者Loll, P.J.
登録日2022-08-02
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding.
J.Biol.Chem., 299, 2023
8DWZ
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CA domain of VanSA histidine kinase, 7 keV data
分子名称: CADMIUM ION, Sensor protein VanS
著者Loll, P.J.
登録日2022-08-02
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding.
J.Biol.Chem., 299, 2023
8DVQ
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BU of 8dvq by Molmil
CA domain of VanSA histidine kinase
分子名称: CADMIUM ION, Sensor protein VanS
著者Loll, P.J.
登録日2022-07-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding.
J.Biol.Chem., 299, 2023
2BRE
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BU of 2bre by Molmil
STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90.
分子名称: 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Pearl, L.H, Prodromou, C.
登録日2005-05-04
公開日2005-09-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors.
Bioorg. Med. Chem. Lett., 15, 2005
2BRC
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BU of 2brc by Molmil
Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90.
分子名称: 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Pearl, L.H, Prodromou, C.
登録日2005-05-04
公開日2005-09-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors.
Bioorg. Med. Chem. Lett., 15, 2005
2CGF
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BU of 2cgf by Molmil
A RADICICOL ANALOGUE BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE
分子名称: (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Prodromou, C, Pearl, L.H, Moody, C.J.
登録日2006-03-02
公開日2006-11-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibition of Hsp90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol.
Chem.Biol., 13, 2006

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