Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

5Z9M
DownloadVisualize
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
5Z9N
DownloadVisualize
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
5Z9P
DownloadVisualize
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
5Z9Q
DownloadVisualize
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
5ZXM
DownloadVisualize
BU of 5zxm by Molmil
Crystal Structure of GyraseB N-terminal at 1.93A Resolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA gyrase subunit B, ...
著者Tiwari, P, Gupta, D, Sachdeva, E, Sharma, S, Singh, T.P, Ethayathulla, A.S, Kaur, P.
登録日2018-05-21
公開日2019-05-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.938 Å)
主引用文献Structural insights into the transient closed conformation and pH dependent ATPase activity of S.Typhi GyraseB N- terminal domain.
Arch.Biochem.Biophys., 701, 2021
6AZR
DownloadVisualize
BU of 6azr by Molmil
Crystal structure of the T264A HK853cp-BeF3-RR468 complex
分子名称: Chemotaxis regulator-transmits chemoreceptor signals to flagelllar motor components CheY, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Rose, J, Zhou, P.
登録日2017-09-11
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.628 Å)
主引用文献A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases.
Nat Commun, 8, 2017
6BLK
DownloadVisualize
BU of 6blk by Molmil
Mycobacterial sensor histidine kinase MprB
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Signal transduction histidine-protein kinase/phosphatase mprB
著者Li, J, Korotkova, N, Korotkov, K.V.
登録日2017-11-10
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献Mycobacterial sensor histidine kinase MprB
to be published
6CJI
DownloadVisualize
BU of 6cji by Molmil
Candida albicans Hsp90 nucleotide binding domain
分子名称: 1,2-ETHANEDIOL, Heat shock protein 90 homolog
著者Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC)
登録日2018-02-26
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6CJJ
DownloadVisualize
BU of 6cjj by Molmil
Candida albicans Hsp90 nucleotide binding domain in complex with ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90 homolog, ...
著者Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC)
登録日2018-02-26
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6CJL
DownloadVisualize
BU of 6cjl by Molmil
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
6CJP
DownloadVisualize
BU of 6cjp by Molmil
Candida albicans Hsp90 nucleotide binding domain in complex with radicicol
分子名称: (1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one, Heat shock protein 90 homolog
著者Nation, C, Pizarro, J.C.
登録日2018-02-26
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6CJR
DownloadVisualize
BU of 6cjr by Molmil
Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112
分子名称: 1,2-ETHANEDIOL, 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein 90 homolog
著者Kirkpatrick, M.G, Pizarro, J.C.
登録日2018-02-26
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6CJS
DownloadVisualize
BU of 6cjs by Molmil
Candida albicans Hsp90 nucleotide binding domain in complex with AUY922
分子名称: 1,2-ETHANEDIOL, 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, Heat shock protein 90 homolog
著者Kirkpatrick, M.G, Pizarro, J.C.
登録日2018-02-26
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6DK7
DownloadVisualize
BU of 6dk7 by Molmil
RetS histidine kinase region with cobalt
分子名称: COBALT (II) ION, RetS (Regulator of Exopolysaccharide and Type III Secretion)
著者Mancl, J.M, Schubot, F.D.
登録日2018-05-29
公開日2019-03-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Helix Cracking Regulates the Critical Interaction between RetS and GacS in Pseudomonas aeruginosa.
Structure, 27, 2019
6DK8
DownloadVisualize
BU of 6dk8 by Molmil
RetS kinase region without cobalt
分子名称: NICKEL (II) ION, RetS (Regulator of Exopolysaccharide and Type III Secretion)
著者Mancl, J.M, Schubot, F.D.
登録日2018-05-29
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Helix Cracking Regulates the Critical Interaction between RetS and GacS in Pseudomonas aeruginosa.
Structure, 27, 2019
6ENG
DownloadVisualize
BU of 6eng by Molmil
Crystal structure of the 43K ATPase domain of Escherichia coli gyrase B in complex with an aminocoumarin
分子名称: CHLORIDE ION, Coumermycin A1, DNA gyrase subunit B, ...
著者Vanden Broeck, A, McEwen, A.G, Lamour, V.
登録日2017-10-04
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for DNA Gyrase Interaction with Coumermycin A1.
J.Med.Chem., 62, 2019
6ENH
DownloadVisualize
BU of 6enh by Molmil
Crystal structure of the 43K ATPase domain of Thermus thermophilus gyrase B in complex with an aminocoumarin
分子名称: Coumermycin A1, DNA gyrase subunit B, IMIDAZOLE
著者Vanden Broeck, A, McEwen, A.G, Lamour, V.
登録日2017-10-04
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural Basis for DNA Gyrase Interaction with Coumermycin A1.
J.Med.Chem., 62, 2019
6F86
DownloadVisualize
BU of 6f86 by Molmil
Crystal Structure of E. coli GyraseB 24kDa in complex with 4-(4-bromo-1H-pyrazol-1-yl)-6-[(ethylcarbamoyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide
分子名称: 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B
著者Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G.
登録日2017-12-12
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
6F8J
DownloadVisualize
BU of 6f8j by Molmil
Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-(1H-pyrazol-1-yl)-N-(pyridin-3-yl)pyridine-3-carboxamide
分子名称: 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B
著者Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G.
登録日2017-12-13
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
6F94
DownloadVisualize
BU of 6f94 by Molmil
Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(3-methyphenyl)amino]-N-(3-methyphenyl)pyridine-3-carboxamide
分子名称: 6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide, DNA gyrase subunit B
著者Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G.
登録日2017-12-14
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
6F96
DownloadVisualize
BU of 6f96 by Molmil
Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(4-methoxyphenyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide
分子名称: 6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B
著者Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G.
登録日2017-12-14
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
6GAU
DownloadVisualize
BU of 6gau by Molmil
Extremely 'open' clamp structure of DNA gyrase: role of the Corynebacteriales GyrB specific insert
分子名称: DNA gyrase subunit B,DNA gyrase subunit A, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Petrella, S, Capton, E, Alzari, P.M, Aubry, A, Mayer, C.
登録日2018-04-12
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Overall Structures of Mycobacterium tuberculosis DNA Gyrase Reveal the Role of a Corynebacteriales GyrB-Specific Insert in ATPase Activity.
Structure, 27, 2019
6GAV
DownloadVisualize
BU of 6gav by Molmil
Extremely 'open' clamp structure of DNA gyrase: role of the Corynebacteriales GyrB specific insert
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA gyrase subunit B,DNA gyrase subunit A
著者Petrella, S, Capton, E, Alzari, P.M, Aubry, A, MAyer, C.
登録日2018-04-12
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Overall Structures of Mycobacterium tuberculosis DNA Gyrase Reveal the Role of a Corynebacteriales GyrB-Specific Insert in ATPase Activity.
Structure, 27, 2019
6J90
DownloadVisualize
BU of 6j90 by Molmil
Crystal Structure of GyraseB N-Terminal Domain complex with ATP from Salmonella Typhi at 2.2A Resolution
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kaur, G, Sachdeva, E, Tiwari, P, Gupta, D, Ethayathulla, A.S, Kaur, P.
登録日2019-01-21
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of GyraseB N-Terminal Domain complex with ATP from Salmonella Typhi at 2.2A Resolution
To Be Published
6KZV
DownloadVisualize
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

221051

件を2024-06-12に公開中

PDB statisticsPDBj update infoContact PDBjnumon