Author results

6FOC
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F1-ATPASE FROM MYCOBACTERIUM SMEGMATIS
Descriptor:ATP synthase subunit alpha,ATP synthase subunit alpha,ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase gamma chain, ...
Authors:Zhang, T., Montgomery, M.G., Leslie, A.G.W., Cook, G.M., Walker, J.E.
Deposit date:2018-02-06
Release date:2019-01-23
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (4 Å)
Cite:The structure of the catalytic domain of the ATP synthase fromMycobacterium smegmatisis a target for developing antitubercular drugs.
Proc. Natl. Acad. Sci. U.S.A., 2019
6ECI
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STRUCTURE OF THE FAD BINDING PROTEIN MSMEG_5243 FROM MYCOBACTERIUM SMEGMATIS
Descriptor:Pyridoxamine 5'-phosphate oxidase-related, FMN-binding protein, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Ahmed, F.H., Antoney, J., Carr, P.D., Jackson, C.J.
Deposit date:2018-08-07
Release date:2018-12-26
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:FAD-sequestering proteins protect mycobacteria against hypoxic and oxidative stress.
J. Biol. Chem., 294, 2019
5ZA7
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UPA-HMA
Descriptor:Urokinase-type plasminogen activator chain B, 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide, SULFATE ION
Authors:Buckley, B.J., Jiang, L.G., Huang, M.D., Kelso, M.J., Ranson, M.
Deposit date:2018-02-06
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZA8
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UPA-BB2-27F
Descriptor:Urokinase-type plasminogen activator chain B, 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide
Authors:Buckley, B.J., Jiang, L.G., Huang, M.D., Kelso, M.J., Ranson, M.
Deposit date:2018-02-06
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZA9
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UPA-BB2-50F
Descriptor:Urokinase-type plasminogen activator chain B, 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide
Authors:Buckley, B.J., Jiang, L.G., Huang, M.D., Kelso, M.J., Ranson, M.
Deposit date:2018-02-07
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZAE
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UPA-6F-HMA
Descriptor:Urokinase-type plasminogen activator chain B, 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide, SULFATE ION
Authors:Buckley, B.J., Jiang, L.G., Huang, M.D., Kelso, M.J., Ranson, M.
Deposit date:2018-02-07
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZAF
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UPA-BB2-28F
Descriptor:Urokinase-type plasminogen activator chain B, 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide
Authors:Buckley, B.J., Jiang, L.G., Huang, M.D., Kelso, M.J., Ranson, M.
Deposit date:2018-02-07
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZAG
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UPA-BB2-94F
Descriptor:Urokinase-type plasminogen activator chain B, 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide
Authors:Buckley, B.J., Jiang, L.G., Huang, M.D., Kelso, M.J., Ranson, M.
Deposit date:2018-02-07
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZAH
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UPA-BB2-30F
Descriptor:Urokinase-type plasminogen activator chain B, 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide
Authors:Buckley, B.J., Jiang, L.G., Huang, M.D., Kelso, M.J., Ranson, M.
Deposit date:2018-02-07
Release date:2018-12-19
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZAJ
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UPA-31F
Descriptor:Urokinase-type plasminogen activator chain B, 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide
Authors:Buckley, B.J., Jiang, L.G., Huang, M.D., Kelso, M.J., Ranson, M.
Deposit date:2018-02-07
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZC5
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UPA-NU-09F
Descriptor:Urokinase-type plasminogen activator chain B, 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide
Authors:Jiang, L.G., Buckley, B.J., Huang, M.D., Kelso, M.J., Ranson, M.
Deposit date:2018-02-15
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
6BDO
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STRUCTURE OF BACTERIAL TYPE II NADH DEHYDROGENASE FROM CALDALKALIBACILLUS THERMARUM COMPLEXED WITH A QUINONE INHIBITOR HQNO AT 2.8A RESOLUTION
Descriptor:FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE
Authors:Cook, G.M., Aragao, D., Nakatani, Y.
Deposit date:2017-10-23
Release date:2018-05-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the NDH-2 - HQNO inhibited complex provides molecular insight into quinone-binding site inhibitors.
Biochim. Biophys. Acta, 1859, 2018
5WED
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STRUCTURE OF BACTERIAL TYPE II NADH DEHYDROGENASE FROM CALDALKALIBACILLUS THERMARUM AT 2.15A RESOLUTION
Descriptor:FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Nakatani, Y., Aragao, D., Cook, G.M.
Deposit date:2017-07-09
Release date:2017-10-18
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of type II NADH:quinone oxidoreductase from Caldalkalibacillus thermarum with an improved resolution of 2.15 angstrom.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5NXB
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MOUSE GALACTOCEREBROSIDASE IN COMPLEX WITH SAPOSIN A
Descriptor:Galactocerebrosidase, Prosaposin, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Graham, S.C., Hill, C.H., Deane, J.E.
Deposit date:2017-05-09
Release date:2017-05-24
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The mechanism of glycosphingolipid degradation revealed by a GALC-SapA complex structure.
Nat Commun, 9, 2018
5KMS
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THE STRUCTURE OF TYPE II NADH DEHYDROGENASE FROM CALDALKALIBACILLUS THERMARUM COMPLEXED WITH NAD+ AT 2.5 ANGSTROM RESOLUTION.
Descriptor:FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Cook, G.M., Aragao, D., Nakatani, Y.
Deposit date:2016-06-27
Release date:2017-02-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The mechanism of catalysis by type-II NADH:quinone oxidoreductases.
Sci Rep, 7, 2017
5KMP
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THE STRUCTURE OF G164E VARIANT OF TYPE II NADH DEHYDROGENASE FROM CALDALKALIBACILLUS THERMARUM
Descriptor:FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Cook, G.M., Aragao, D., Nakatani, Y.
Deposit date:2016-06-27
Release date:2017-01-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The mechanism of catalysis by type-II NADH:quinone oxidoreductases.
Sci Rep, 7, 2017
5KMQ
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THE STRUCTURE OF I379E VARIANT OF TYPE II NADH DEHYDROGENASE FROM CALDALKALIBACILLUS THERMARUM
Descriptor:FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Cook, G.M., Aragao, D., Nakatani, Y.
Deposit date:2016-06-27
Release date:2017-01-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The mechanism of catalysis by type-II NADH:quinone oxidoreductases.
Sci Rep, 7, 2017
5KMR
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THE STRUCTURE OF TYPE II NADH DEHYDROGENASE FROM CALDALKALIBACILLUS THERMARUM COMPLEXED WITH NAD+ AT 3.0 ANGSTROM RESOLUTION.
Descriptor:FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Cook, G.M., Aragao, D., Nakatani, Y.
Deposit date:2016-06-27
Release date:2017-01-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:The mechanism of catalysis by type-II NADH:quinone oxidoreductases.
Sci Rep, 7, 2017
5E57
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CRYSTAL STRUCTURE OF MYCOBACTERIUM SMEGMATIS AMTR
Descriptor:Transcription regulator AmtR, ACETATE ION
Authors:Vickers, C.J., McKenzie, J.L., Arcus, V.L.
Deposit date:2015-10-07
Release date:2016-09-28
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure and Function of AmtR in Mycobacterium smegmatis: Implications for Post-Transcriptional Regulation of Urea Metabolism through a Small Antisense RNA.
J.Mol.Biol., 428, 2016
5HKK
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CALDALAKLIBACILLUS THERMARUM F1-ATPASE (WILD TYPE)
Descriptor:ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase gamma chain, ...
Authors:Ferguson, S.A., Cook, G.M., Montgomery, M.G., Leslie, A.G.W., Walker, J.E.
Deposit date:2016-01-14
Release date:2016-09-21
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Regulation of the thermoalkaliphilic F1-ATPase from Caldalkalibacillus thermarum.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IK2
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CALDALAKLIBACILLUS THERMARUM F1-ATPASE (EPSILON MUTANT)
Descriptor:ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase gamma chain, ...
Authors:Ferguson, S.A., Cook, G.M., Montgomery, M.G., Leslie, A.G.W., Walker, J.E.
Deposit date:2016-03-03
Release date:2016-09-21
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Regulation of the thermoalkaliphilic F1-ATPase from Caldalkalibacillus thermarum.
Proc.Natl.Acad.Sci.USA, 113, 2016
4NWZ
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STRUCTURE OF BACTERIAL TYPE II NADH DEHYDROGENASE FROM CALDALKALIBACILLUS THERMARUM AT 2.5A RESOLUTION
Descriptor:FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Nakatani, Y., Heikal, A., Lott, J.S., Sazanov, L.A., Baker, E.N., Cook, G.M.
Deposit date:2013-12-07
Release date:2014-02-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the bacterial type II NADH dehydrogenase: a monotopic membrane protein with an essential role in energy generation.
Mol.Microbiol., 2014
4IDM
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CRYSTAL STRUCTURE OF THE DELTA-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Delta-1-pyrroline-5-carboxylate dehydrogenase
Authors:Lagautriere, T., Bashiri, G., Baker, E.N.
Deposit date:2012-12-12
Release date:2013-12-18
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies.
Acta Crystallogr.,Sect.D, 70, 2014
4IDS
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CRYSTAL STRUCTURE OF THE DELTA-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Delta-1-pyrroline-5-carboxylate dehydrogenase
Authors:Lagautriere, T., Bashiri, G., Baker, E.N.
Deposit date:2012-12-13
Release date:2013-12-18
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies.
Acta Crystallogr.,Sect.D, 70, 2014
4IHI
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CRYSTAL STRUCTURE OF THE DELTA-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND WITH NAD
Descriptor:Delta-1-pyrroline-5-carboxylate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lagautriere, T., Bashiri, G., Baker, E.N.
Deposit date:2012-12-18
Release date:2013-12-18
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies.
Acta Crystallogr.,Sect.D, 70, 2014
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