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PDB: 442 件
5Z9E
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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
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
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
8DX0
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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
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
6BLK
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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
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
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
5Z9F
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BU of 5z9f by Molmil
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
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
4MOT
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BU of 4mot by Molmil
Structure of Streptococcus pneumonia pare in complex with AZ13072886
分子名称: 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B
著者Ogg, D, Boriack-Sjodin, P.A.
登録日2013-09-12
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Bioorg.Med.Chem.Lett., 24, 2014
4KSG
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BU of 4ksg by Molmil
Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (4-[(1S,5R,6R)-6-AMINO-1-METHYL-3-AZABICYCLO[3.2.0]HEPT-3-YL]-6-FLUORO-N-METHYL-2-[(2-METHYLPYRIMIDIN-5-YL)OXY]-9H-PYRIMIDO[4,5-B]INDOL-8-AMINE)
分子名称: 4-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL
著者Bensen, D.C, Akers-Rodriguez, S, Tari, L.W.
登録日2013-05-17
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
4KTN
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BU of 4ktn by Molmil
Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor ((3S)-1-[2-(PYRIDO[2,3-B]PYRAZIN-7-YLSULFANYL)-9H-PYRIMIDO[4,5-B]INDOL-4-YL]PYRROLIDIN-3-AMINE)
分子名称: (3S)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B
著者Bensen, D.C, Akers-rodriguez, S, Tari, L.W.
登録日2013-05-20
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
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
4KSH
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BU of 4ksh by Molmil
Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (7-({4-[(3R)-3-AMINOPYRROLIDIN-1-YL]-5-CHLORO-6-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL}SULFANYL)-1,5-NAPHTHYRIDIN-1(4H)-OL)
分子名称: 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol, DNA gyrase subunit B, GLYCEROL
著者Bensen, D.C, Akers-Rodriguez, S, Tari, L.W.
登録日2013-05-17
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
4KFG
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BU of 4kfg by Molmil
The DNA Gyrase B ATP binding domain of Escherichia coli in complex with a small molecule inhibitor.
分子名称: 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, SULFATE ION
著者Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W.
登録日2013-04-26
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A new class of type IIA topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
4K4O
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BU of 4k4o by Molmil
The DNA Gyrase B ATP binding domain of Enterococcus faecalis in complex with a small molecule inhibitor
分子名称: 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL
著者Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W.
登録日2013-04-12
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A new class of type IIA topoisomerase inhibitors with broad-spectrum antibacterial activity
To be Published
4LPB
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BU of 4lpb by Molmil
Crystal structure of a topoisomerase ATPase inhibitor
分子名称: 1-ethyl-3-{5'-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridin-6-yl}urea, Topoisomerase IV subunit B
著者Boriack-Sjodin, A.
登録日2013-07-15
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents.
J.Med.Chem., 56, 2013
4LP0
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BU of 4lp0 by Molmil
Crystal structure of a topoisomerase ATP inhibitor
分子名称: 6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid, Topoisomerase IV subunit B
著者Basarab, G.S, Manchester, J.I, Bist, S, Boriack-Sjodin, P.A, Dangel, B, Illingsworth, R, Uria-Nickelsen, M, Sherer, B.A, Sriram, S, Eakin, A.E.
登録日2013-07-14
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment-to-Hit-to-Lead Discovery of a Novel Pyridylurea Scaffold of ATP Competitive Dual Targeting Type II Topoisomerase Inhibiting Antibacterial Agents.
J.Med.Chem., 56, 2013
3A0Y
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BU of 3a0y by Molmil
Catalytic domain of histidine kinase ThkA (TM1359) (nucleotide free form 3: 1,2-propanediol, orthorombic)
分子名称: Sensor protein
著者Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y.
登録日2009-03-25
公開日2009-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure of PAS-linked histidine kinase and the response regulator complex
Structure, 17, 2009

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