5Z9E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z9e by Molmil](/molmil-images/mine/5z9e) | |
5Z9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z9n by Molmil](/molmil-images/mine/5z9n) | |
5Z9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z9b by Molmil](/molmil-images/mine/5z9b) | Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine | Descriptor: | (3,4-dichlorophenyl)hydrazine, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-02 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
|
|
5Z9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z9m by Molmil](/molmil-images/mine/5z9m) | |
8DVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dvq by Molmil](/molmil-images/mine/8dvq) | CA domain of VanSA histidine kinase | Descriptor: | CADMIUM ION, Sensor protein VanS | Authors: | Loll, P.J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding. J.Biol.Chem., 299, 2023
|
|
8DX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dx0 by Molmil](/molmil-images/mine/8dx0) | VanSC CA domain | Descriptor: | Histidine kinase, MAGNESIUM ION | Authors: | Loll, P.J. | Deposit date: | 2022-08-02 | Release date: | 2023-03-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding. J.Biol.Chem., 299, 2023
|
|
8DWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dwz by Molmil](/molmil-images/mine/8dwz) | CA domain of VanSA histidine kinase, 7 keV data | Descriptor: | CADMIUM ION, Sensor protein VanS | Authors: | Loll, P.J. | Deposit date: | 2022-08-02 | Release date: | 2023-03-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding. J.Biol.Chem., 299, 2023
|
|
5Z4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z4h by Molmil](/molmil-images/mine/5z4h) | Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 4-(4-hydroxyphenyl)sulfanylphenol, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-01-11 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
|
|
6BLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6blk by Molmil](/molmil-images/mine/6blk) | Mycobacterial sensor histidine kinase MprB | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Signal transduction histidine-protein kinase/phosphatase mprB | Authors: | Li, J, Korotkova, N, Korotkov, K.V. | Deposit date: | 2017-11-10 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | Mycobacterial sensor histidine kinase MprB to be published
|
|
5Z9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z9p by Molmil](/molmil-images/mine/5z9p) | |
5Z9Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z9q by Molmil](/molmil-images/mine/5z9q) | Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 5-phenyl-1H-pyrazol-3-amine, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-04 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
|
|
5Z9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z9f by Molmil](/molmil-images/mine/5z9f) | Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-03 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
|
|
5Z9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z9l by Molmil](/molmil-images/mine/5z9l) | Bacterial GyrB ATPase domain in complex with a chemical fragment | Descriptor: | 1H-benzimidazol-2-amine, 2-fluoro-4-hydroxybenzonitrile, DNA gyrase subunit B, ... | Authors: | Huang, X, Zhou, H. | Deposit date: | 2018-02-03 | Release date: | 2018-12-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
|
|
5Z4O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z4o by Molmil](/molmil-images/mine/5z4o) | |
4MOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mot by Molmil](/molmil-images/mine/4mot) | Structure of Streptococcus pneumonia pare in complex with AZ13072886 | Descriptor: | 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 | Authors: | Ogg, D, Boriack-Sjodin, P.A. | Deposit date: | 2013-09-12 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy. Bioorg.Med.Chem.Lett., 24, 2014
|
|
4KSG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ksg by Molmil](/molmil-images/mine/4ksg) | 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) | Descriptor: | 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 | Authors: | Bensen, D.C, Akers-Rodriguez, S, Tari, L.W. | Deposit date: | 2013-05-17 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A new class of type iia topoisomerase inhibitors with
broad-spectrum antibacterial activity To be Published
|
|
4KTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ktn by Molmil](/molmil-images/mine/4ktn) | 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) | Descriptor: | (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 | Authors: | Bensen, D.C, Akers-rodriguez, S, Tari, L.W. | Deposit date: | 2013-05-20 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A new class of type iia topoisomerase inhibitors with
broad-spectrum antibacterial activity To be Published
|
|
4P8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4p8o by Molmil](/molmil-images/mine/4p8o) | S. aureus gyrase bound to an aminobenzimidazole urea inhibitor | Descriptor: | 1-ethyl-3-[5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzimidazol-2-yl]urea, DNA gyrase subunit B | Authors: | Jacobs, M.D. | Deposit date: | 2014-03-31 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability. J.Med.Chem., 57, 2014
|
|
4PL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pl9 by Molmil](/molmil-images/mine/4pl9) | |
4KSH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ksh by Molmil](/molmil-images/mine/4ksh) | 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) | Descriptor: | 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 | Authors: | Bensen, D.C, Akers-Rodriguez, S, Tari, L.W. | Deposit date: | 2013-05-17 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity To be Published
|
|
4KFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kfg by Molmil](/molmil-images/mine/4kfg) | The DNA Gyrase B ATP binding domain of Escherichia coli in complex with a small molecule inhibitor. | Descriptor: | 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 | Authors: | Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W. | Deposit date: | 2013-04-26 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A new class of type IIA topoisomerase inhibitors with broad-spectrum antibacterial activity To be Published
|
|
4K4O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k4o by Molmil](/molmil-images/mine/4k4o) | The DNA Gyrase B ATP binding domain of Enterococcus faecalis in complex with a small molecule inhibitor | Descriptor: | 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 | Authors: | Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W. | Deposit date: | 2013-04-12 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A new class of type IIA topoisomerase inhibitors with broad-spectrum antibacterial
activity To be Published
|
|
4LPB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lpb by Molmil](/molmil-images/mine/4lpb) | Crystal structure of a topoisomerase ATPase inhibitor | Descriptor: | 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 | Authors: | Boriack-Sjodin, A. | Deposit date: | 2013-07-15 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lp0 by Molmil](/molmil-images/mine/4lp0) | Crystal structure of a topoisomerase ATP inhibitor | Descriptor: | 6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic acid, Topoisomerase IV subunit B | Authors: | 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. | Deposit date: | 2013-07-14 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3a0y by Molmil](/molmil-images/mine/3a0y) | Catalytic domain of histidine kinase ThkA (TM1359) (nucleotide free form 3: 1,2-propanediol, orthorombic) | Descriptor: | Sensor protein | Authors: | Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. | Deposit date: | 2009-03-25 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structure of PAS-linked histidine kinase and the response regulator complex Structure, 17, 2009
|
|