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PDB: 442 件
5CTU
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BU of 5ctu by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ...
著者Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
登録日2015-07-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
3EHG
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BU of 3ehg by Molmil
Crystal structure of the ATP-binding domain of DesK in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, IODIDE ION, MAGNESIUM ION, ...
著者Trajtenberg, F, Buschiazzo, A.
登録日2008-09-12
公開日2009-09-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural and enzymatic insights into the ATP binding and autophosphorylation mechanism of a sensor histidine kinase
J.Biol.Chem., 285, 2010
3FV5
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BU of 3fv5 by Molmil
Crystal Structure of E. coli Topoisomerase IV co-complexed with inhibitor
分子名称: 1-(4-acetyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea, DNA topoisomerase 4 subunit B
著者Wei, Y, Charifson, P, LeTiran, A.
登録日2009-01-15
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 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
著者Wei, Y, Charifson, P.
登録日2009-02-09
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase.
Bioorg.Med.Chem.Lett., 20, 2010
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
分子名称: DNA gyrase subunit B, methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl}methyl)carbamate
著者Wei, Y, Charisfon, P.
登録日2009-02-09
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole, DNA gyrase subunit B
著者Wei, Y, Charifson, P.
登録日2009-02-09
公開日2010-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Heat shock protein 83-1, MAGNESIUM ION, ...
著者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)
登録日2009-04-28
公開日2009-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213
To be Published
4XCL
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BU of 4xcl by Molmil
N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with AGS
分子名称: Heat shock cognate 90 kDa protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Raman, S, Suguna, K.
登録日2014-12-18
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献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
分子名称: DI(HYDROXYETHYL)ETHER, Heat shock cognate 90 kDa protein, MAGNESIUM ION, ...
著者Raman, S, Suguna, K.
登録日2014-12-17
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
分子名称: Heat shock cognate 90 kDa protein
著者Raman, S, Suguna, K.
登録日2014-12-22
公開日2015-12-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.199 Å)
主引用文献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
分子名称: ADENOSINE-5'-DIPHOSPHATE, Heat shock cognate 90 kDa protein, MAGNESIUM ION
著者Raman, S, Suguna, K.
登録日2014-12-18
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: DI(HYDROXYETHYL)ETHER, GELDANAMYCIN, Heat shock cognate 90 kDa protein
著者Raman, S, Suguna, K.
登録日2014-12-19
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: GLYCEROL, Heat shock cognate 90 kDa protein, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Raman, S, Suguna, K.
登録日2015-01-10
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: Heat shock cognate 90 kDa protein, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Raman, S, Suguna, K.
登録日2014-12-19
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: Heat shock cognate 90 kDa protein
著者Raman, S, Suguna, K.
登録日2015-01-12
公開日2015-01-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
分子名称: DI(HYDROXYETHYL)ETHER, Heat shock cognate 90 kDa protein, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Raman, S, Suguna, K.
登録日2015-01-12
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.455 Å)
主引用文献First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90
Sci Rep, 5, 2015
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
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
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
4ZKI
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BU of 4zki by Molmil
The crystal structure of Histidine Kinase YycG with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Histidine kinase
著者Cai, Y.
登録日2015-04-30
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.401 Å)
主引用文献Conformational dynamics of the essential sensor histidine kinase WalK
Acta Crystallogr D Struct Biol, 73, 2017
2AKP
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BU of 2akp by Molmil
Hsp90 Delta24-N210 mutant
分子名称: ATP-dependent molecular chaperone HSP82
著者Richter, K, Moser, S, Hagn, F, Friedrich, R, Hainzl, O, Heller, M, Schlee, S, Kessler, H, Reinstein, J, Buchner, J.
登録日2005-08-03
公開日2006-01-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Intrinsic inhibition of the Hsp90 ATPase activity.
J.Biol.Chem., 281, 2006
1ZW9
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BU of 1zw9 by Molmil
Yeast HSP82 in complex with the Novel HSP90 Inhibitor 8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine
分子名称: 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE, HSP82
著者Immormino, R.M, Gewirth, D.T, Chiosis, G.
登録日2005-06-03
公開日2006-06-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibitory Ligands Adopt Different Conformations When Bound to Hsp90 or GRP94: Implications for Paralog-specific Drug Design
To be Published
1YS3
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BU of 1ys3 by Molmil
Crystal Structure of the ATP binding domain of PrrB from Mycobacterium Tuberculosis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Sensor-type histidine kinase prrB
著者Nowak, E, Panjikar, S, Tucker, P, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2005-02-07
公開日2005-07-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of ATP binding domain of Hidtidine Kinase from MTB
To be Published
1YSR
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BU of 1ysr by Molmil
Crystal Structure of ATP binding domain of PrrB from Mycobacterium Tuberculosis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Sensor-type histidine kinase prrB
著者Nowak, E, Panjikar, S, Tucker, P, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2005-02-09
公開日2005-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal Structure of ATP binding domain of PrrB from Mycobacterium Tuberculosis
To be published
1ZWH
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BU of 1zwh by Molmil
Yeast Hsp82 in complex with the novel Hsp90 inhibitor Radester amine
分子名称: 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE, ATP-dependent molecular chaperone HSP82
著者Immormino, R.M, Blagg, B.S, Gewirth, D.T.
登録日2005-06-03
公開日2006-06-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibitory Ligands Adopt Different Conformations When Bound to Hsp90 or GRP94: Implications for Paralog-specific Drug Design
To be Published

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件を2024-07-03に公開中

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