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PDB: 62 results

5CDQ
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2.95A structure of Moxifloxacin with S.aureus DNA gyrase and DNA
Descriptor: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ...
Authors:Bax, B.D, Srikannathasan, V, Chan, P.F.
Deposit date:2015-07-04
Release date:2015-12-16
Last modified:2016-12-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
5CDM
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2.5A structure of QPT-1 with S.aureus DNA gyrase and DNA
Descriptor: (2R,4S,4aS)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ...
Authors:Bax, B.D, Srikannathasan, V, Chan, P.F.
Deposit date:2015-07-04
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
5CDN
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2.8A structure of etoposide with S.aureus DNA gyrase and DNA
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP**GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*C)-3'), DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*C)-3'), ...
Authors:Bax, B.D, Srikannathasan, V, Chan, P.F.
Deposit date:2015-07-04
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
5CDO
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3.15A structure of QPT-1 with S.aureus DNA gyrase and DNA
Descriptor: (2R,4S,4aS)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one, (2R,4S,4aS,5R)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione, (2R,4S,4aS,5S)-6'-hydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione, ...
Authors:Bax, B.D, Srikannathasan, V, Chan, P.F.
Deposit date:2015-07-04
Release date:2015-12-16
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
5CDR
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2.65 structure of S.aureus DNA gyrase and artificially nicked DNA
Descriptor: DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*)-3'), DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
Authors:Bax, B.D, Srikannathasan, V, Chan, P.F.
Deposit date:2015-07-04
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
5CDP
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2.45A structure of etoposide with S.aureus DNA gyrase and DNA
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ...
Authors:Bax, B.D, Srikannathasan, V, Chan, P.F.
Deposit date:2015-07-04
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
8BP2
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2.8A STRUCTURE OF ZOLIFLODACIN WITH S.AUREUS DNA GYRASE AND DNA
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (20-MER), DNA gyrase subunit A, ...
Authors:Bax, B.D, Morgan, H, Warren, A.J.
Deposit date:2022-11-15
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A 2.8 angstrom Structure of Zoliflodacin in a DNA Cleavage Complex with Staphylococcus aureus DNA Gyrase.
Int J Mol Sci, 24, 2023
2XCT
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The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin and DNA
Descriptor: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 5'-D(AP*GP*CP*CP*GP*TP*AP*G)-3', 5'-D(GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3', ...
Authors:Bax, B.D, Chan, P, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
Deposit date:2010-04-25
Release date:2010-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
2XCR
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The 3.5A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase complexed with GSK299423 and DNA
Descriptor: 5'-D(*5UA*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, ...
Authors:Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
Deposit date:2010-04-25
Release date:2010-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
2XCS
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The 2.1A crystal structure of S. aureus Gyrase complex with GSK299423 and DNA
Descriptor: 5'-5UA*D(GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP *CP*TP*AP*CP*GP*GP*CP*T)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, DNA GYRASE SUBUNIT B, ...
Authors:Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
Deposit date:2010-04-25
Release date:2010-08-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
5NPP
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2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA
Descriptor: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DIMETHYL SULFOXIDE, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
Authors:Bax, B.D, Chan, P.F, Stavenger, R.A.
Deposit date:2017-04-18
Release date:2017-07-12
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2XCO
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The 3.1A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase
Descriptor: CALCIUM ION, DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A
Authors:Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
Deposit date:2010-04-24
Release date:2010-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
5IWI
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1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA
Descriptor: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), ...
Authors:Bax, B.D, Miles, T.J.
Deposit date:2016-03-22
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26, 2016
5IWM
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2.5A structure of GSK945237 with S.aureus DNA gyrase and DNA.
Descriptor: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*TP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*AP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
Authors:Bax, B.D, Miles, T.J.
Deposit date:2016-03-22
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26, 2016
2XCQ
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BU of 2xcq by Molmil
The 2.98A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase
Descriptor: DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A
Authors:Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
Deposit date:2010-04-24
Release date:2010-08-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
5OY4
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GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
Descriptor: Glycogen synthase kinase-3 beta, Proto-oncogene FRAT1, SULFATE ION, ...
Authors:Bax, B.D, Convery, M.A.
Deposit date:2017-09-07
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome.
ACS Med Chem Lett, 8, 2017
6QTP
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2.37A structure of gepotidacin with S.aureus DNA gyrase and uncleaved DNA
Descriptor: (3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione, DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*AP*GP*CP*TP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ...
Authors:Bax, B.D.
Deposit date:2019-02-25
Release date:2019-03-13
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Mechanistic and Structural Basis for the Actions of the Antibacterial Gepotidacin against Staphylococcus aureus Gyrase.
Acs Infect Dis., 5, 2019
2WAJ
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BU of 2waj by Molmil
Crystal structure of human Jnk3 complexed with a 1-aryl-3,4- dihydroisoquinoline inhibitor
Descriptor: 1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-3,4-DIHYDROISOQUINOLINE, MITOGEN-ACTIVATED PROTEIN KINASE 10
Authors:Bax, B.D, Christopher, J.A, Jones, E.J, Mosley, J.E.
Deposit date:2009-02-08
Release date:2009-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:1-Aryl-3,4-Dihydroisoquinoline Inhibitors of Jnk3.
Bioorg.Med.Chem.Lett., 19, 2009
6QTK
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2.31A structure of gepotidacin with S.aureus DNA gyrase and doubly nicked DNA
Descriptor: (3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ...
Authors:Bax, B.D.
Deposit date:2019-02-25
Release date:2019-03-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Mechanistic and Structural Basis for the Actions of the Antibacterial Gepotidacin against Staphylococcus aureus Gyrase.
Acs Infect Dis., 5, 2019
1GNG
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Glycogen synthase kinase-3 beta (GSK3) complex with FRATtide peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FRATTIDE, GLYCOGEN SYNTHASE KINASE-3 BETA, ...
Authors:Bax, B, Carter, P.S, Lewis, C, Guy, A.R, Bridges, A, Tanner, R, Pettman, G, Mannix, C, Culbert, A.A, Brown, M.J.B, Smith, D.G, Reith, A.D.
Deposit date:2001-10-04
Release date:2002-10-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structure of Phosphorylated Gsk-3Beta Complexed with a Peptide, Frattide, that Inhibits Beta-Catenin Phosphorylation
Structure, 9, 2001
6QX2
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3.4A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA
Descriptor: (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ...
Authors:Bax, B.D.
Deposit date:2019-03-06
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure-guided design of antibacterials that allosterically inhibit DNA gyrase.
Bioorg.Med.Chem.Lett., 29, 2019
5NPK
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1.98A STRUCTURE OF THIOPHENE1 WITH S.AUREUS DNA GYRASE AND DNA
Descriptor: CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A, ...
Authors:Bax, B.D, Chan, P.F, Stavenger, R.A.
Deposit date:2017-04-17
Release date:2017-07-12
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6QX1
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2.7A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA.
Descriptor: (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
Authors:Bax, B.D.
Deposit date:2019-03-06
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-guided design of antibacterials that allosterically inhibit DNA gyrase.
Bioorg.Med.Chem.Lett., 29, 2019
7OKW
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1.62A X-ray crystal structure of the conserved C-terminal (CCT) of human OSR1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MAGNESIUM ION, ...
Authors:Bax, B.D, Elvers, K.T, Lipka-Lloyd, M, Mehellou, Y.
Deposit date:2021-05-18
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structures of the Human SPAK and OSR1 Conserved C-Terminal (CCT) Domains.
Chembiochem, 23, 2022
2BB2
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X-RAY ANALYSIS OF BETA B2-CRYSTALLIN AND EVOLUTION OF OLIGOMERIC LENS PROTEINS
Descriptor: BETA B2-CRYSTALLIN, BETA-MERCAPTOETHANOL
Authors:Bax, B, Lapatto, R, Nalini, V, Driessen, H, Lindley, P.F, Mahadevan, D, Blundell, T.L, Slingsby, C.
Deposit date:1992-09-21
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray analysis of beta B2-crystallin and evolution of oligomeric lens proteins.
Nature, 347, 1990

 

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