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PDB: 442 件
3G7E
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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
4ZKI
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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
3G75
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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
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
6TCK
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BU of 6tck by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ...
著者Welin, M, Kimbung, R, Focht, D.
登録日2019-11-06
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rational design of balanced dual-targeting antibiotics with limited resistance.
Plos Biol., 18, 2020
3H80
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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
5CTW
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BU of 5ctw 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, 2-(butanoylamino)thiophene-3-carboxamide, CHLORIDE ION, ...
著者Andersen, O.A, Barker, J, Hadfield, A.T, 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 (1.48 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
5CTX
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BU of 5ctx 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, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, DNA gyrase subunit B, ...
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 (1.6 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
5CPH
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BU of 5cph by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
分子名称: (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA gyrase subunit B, ...
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2015-07-21
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 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
5D6P
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BU of 5d6p by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5MMP
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BU of 5mmp by Molmil
E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea
分子名称: 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B
著者Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G.
登録日2016-12-12
公開日2017-04-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
5MMN
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BU of 5mmn by Molmil
E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[8-methyl-5-(2-methyl-pyridin-4-yl)-isoquinolin-3-yl]-urea
分子名称: 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea, DNA gyrase subunit B
著者Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G.
登録日2016-12-12
公開日2017-04-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
5MMO
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BU of 5mmo by Molmil
E. coli DNA Gyrase B 24 kDa ATPase domain in complex with [3-(3-ethyl-ureido)-5-(pyridin-4-yl)-isoquinolin-8-yl-methyl]-carbamic acid prop-2-ynyl ester
分子名称: DNA gyrase subunit B, PHOSPHATE ION, prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate
著者Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G.
登録日2016-12-12
公開日2017-04-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
1BGQ
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BU of 1bgq by Molmil
RADICICOL BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE
分子名称: HEAT SHOCK PROTEIN 90, RADICICOL
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日1998-05-29
公開日1999-06-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for inhibition of the Hsp90 molecular chaperone by the antitumor antibiotics radicicol and geldanamycin.
J.Med.Chem., 42, 1999
1BXD
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BU of 1bxd by Molmil
NMR STRUCTURE OF THE HISTIDINE KINASE DOMAIN OF THE E. COLI OSMOSENSOR ENVZ
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN (OSMOLARITY SENSOR PROTEIN (ENVZ))
著者Tanaka, T, Saha, S.K, Tomomori, C, Ishima, R, Liu, D, Tong, K.I, Park, H, Dutta, R, Qin, L, Swindells, M.B, Yamazaki, T, Ono, A.M, Kainosho, M, Inouye, M, Ikura, M.
登録日1998-10-02
公開日1999-10-02
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR structure of the histidine kinase domain of the E. coli osmosensor EnvZ.
Nature, 396, 1998
1AJ6
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NOVOBIOCIN-RESISTANT MUTANT (R136H) OF THE N-TERMINAL 24 KDA FRAGMENT OF DNA GYRASE B COMPLEXED WITH NOVOBIOCIN AT 2.3 ANGSTROMS RESOLUTION
分子名称: GYRASE, NOVOBIOCIN
著者Weston, S.A, Tunnicliffe, A, Pauptit, R.A.
登録日1997-05-15
公開日1998-05-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The entropic penalty of ordered water accounts for weaker binding of the antibiotic novobiocin to a resistant mutant of DNA gyrase: a thermodynamic and crystallographic study.
Biochemistry, 36, 1997
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
8BN6
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Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021
分子名称: 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B
著者Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
登録日2022-11-12
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus .
J.Med.Chem., 66, 2023
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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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
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
1A4H
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STRUCTURE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE IN COMPLEX WITH GELDANAMYCIN
分子名称: GELDANAMYCIN, HEAT SHOCK PROTEIN 90
著者Prodromou, C, Roe, S.M, Pearl, L.H.
登録日1998-01-29
公開日1998-08-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification and structural characterization of the ATP/ADP-binding site in the Hsp90 molecular chaperone
Cell(Cambridge,Mass.), 90, 1997
1AM1
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ATP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE
分子名称: ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK PROTEIN 90
著者Pearl, L.H, Roe, S.M, Prodromou, C.
登録日1997-06-20
公開日1998-06-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and structural characterization of the ATP/ADP-binding site in the Hsp90 molecular chaperone
Cell(Cambridge,Mass.), 90, 1997
1AH8
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STRUCTURE OF THE ORTHORHOMBIC FORM OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE
分子名称: GLYCEROL, HEAT SHOCK PROTEIN 90
著者Prodromou, C, Roe, S.M, Pearl, L.H.
登録日1997-04-14
公開日1997-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A molecular clamp in the crystal structure of the N-terminal domain of the yeast Hsp90 chaperone.
Nat.Struct.Biol., 4, 1997

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