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6BDO
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BU of 6bdo by Molmil
Structure of bacterial type II NADH dehydrogenase from Caldalkalibacillus thermarum complexed with a quinone inhibitor HQNO at 2.8A resolution
Descriptor: 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Cook, G.M, Aragao, D, Nakatani, Y.
Deposit date:2017-10-23
Release date:2018-05-16
Last modified:2023-10-25
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
5KMQ
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BU of 5kmq by Molmil
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
Last modified:2023-10-25
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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BU of 5kmr by Molmil
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
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:The mechanism of catalysis by type-II NADH:quinone oxidoreductases.
Sci Rep, 7, 2017
5KMP
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BU of 5kmp by Molmil
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
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The mechanism of catalysis by type-II NADH:quinone oxidoreductases.
Sci Rep, 7, 2017
5KMS
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BU of 5kms by Molmil
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
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The mechanism of catalysis by type-II NADH:quinone oxidoreductases.
Sci Rep, 7, 2017
5HKK
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BU of 5hkk by Molmil
Caldalaklibacillus thermarum F1-ATPase (wild type)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon 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:2024-01-10
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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BU of 5ik2 by Molmil
Caldalaklibacillus thermarum F1-ATPase (epsilon mutant)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, 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:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Regulation of the thermoalkaliphilic F1-ATPase from Caldalkalibacillus thermarum.
Proc.Natl.Acad.Sci.USA, 113, 2016
6FOC
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BU of 6foc by Molmil
F1-ATPase from Mycobacterium smegmatis
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, 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:2024-01-17
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.USA, 116, 2019
3F8L
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BU of 3f8l by Molmil
Crystal Structure of the Effector Domain of PhnF from Mycobacterium smegmatis
Descriptor: GLYCEROL, HTH-type transcriptional repressor phnF, SULFATE ION
Authors:Busby, J.N, Gebhard, S, Cook, G.M, Baker, E.N, Lott, S.J, Money, V.A.
Deposit date:2008-11-12
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of PhnF, a GntR-family transcription regulator in Mycobacterium smegmatis
To be Published
3F8M
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BU of 3f8m by Molmil
Crystal Structure of PhnF from Mycobacterium smegmatis
Descriptor: GLYCEROL, GntR-family protein transcriptional regulator
Authors:Busby, J.N, Gebhard, S, Cook, G.M, Lott, S.J, Baker, E.N, Money, V.A.
Deposit date:2008-11-12
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of PhnF, a GntR-family transcription regulator in Mycobacterium smegmatis
To be Published
5WED
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BU of 5wed by Molmil
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:2023-03-29
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
6Q45
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BU of 6q45 by Molmil
F1-ATPase from Fusobacterium nucleatum
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Petri, J, Nakatani, Y, Montgomery, M.G, Ferguson, S.A, Aragao, D, Leslie, A.G.W, Heikal, A, Walker, J.E, Cook, G.M.
Deposit date:2018-12-05
Release date:2019-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of F1-ATPase from the obligate anaerobe Fusobacterium nucleatum.
Open Biology, 9, 2019
7NBV
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BU of 7nbv by Molmil
Structure of 2A protein from Theilers murine encephalomyelitis virus (TMEV)
Descriptor: BROMIDE ION, Capsid protein VP0
Authors:Hill, C.H, Cook, G.M, Napthine, S, Kibe, A, Brown, K, Caliskan, N, Firth, A.E, Graham, S.C, Brierley, I.
Deposit date:2021-01-28
Release date:2021-12-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Investigating molecular mechanisms of 2A-stimulated ribosomal pausing and frameshifting in Theilovirus.
Nucleic Acids Res., 49, 2021
4BGN
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BU of 4bgn by Molmil
cryo-EM structure of the NavCt voltage-gated sodium channel
Descriptor: VOLTAGE-GATED SODIUM CHANNEL
Authors:Tsai, C.J, Tani, K, Irie, K, Hiroaki, Y, Shimomura, T, Mcmillan, D.G, Cook, G.M, Schertler, G, Fujiyoshi, Y, Li, X.D.
Deposit date:2013-03-28
Release date:2013-07-10
Last modified:2023-12-20
Method:ELECTRON CRYSTALLOGRAPHY (9 Å)
Cite:Two Alternative Conformations of a Voltage-Gated Sodium Channel.
J.Mol.Biol., 425, 2013
4NWZ
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BU of 4nwz by Molmil
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
Last modified:2023-11-08
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., 91, 2014
2QE7
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BU of 2qe7 by Molmil
Crystal structure of the f1-atpase from the thermoalkaliphilic bacterium bacillus sp. ta2.a1
Descriptor: ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit epsilon, ...
Authors:Stocker, A, Keis, S, Vonck, J, Cook, G.M, Dimroth, P.
Deposit date:2007-06-25
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:The Structural Basis for Unidirectional Rotation of Thermoalkaliphilic F(1)-ATPase.
Structure, 15, 2007
5ZAJ
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BU of 5zaj by Molmil
uPA-31F
Descriptor: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
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
Last modified:2023-11-22
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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BU of 5zag by Molmil
uPA-BB2-94F
Descriptor: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
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
Last modified:2023-11-22
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
5ZA8
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BU of 5za8 by Molmil
uPA-BB2-27F
Descriptor: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
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
Last modified:2023-11-22
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
5ZAF
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BU of 5zaf by Molmil
uPA-BB2-28F
Descriptor: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
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
Last modified:2023-11-22
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
5ZA7
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BU of 5za7 by Molmil
uPA-HMA
Descriptor: 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator chain B
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
Last modified:2023-11-22
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
5ZAE
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BU of 5zae by Molmil
uPA-6F-HMA
Descriptor: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator chain B
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
Last modified:2023-11-22
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
5ZC5
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BU of 5zc5 by Molmil
uPA-NU-09F
Descriptor: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
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
Last modified:2023-11-22
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
5ZAH
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BU of 5zah by Molmil
uPA-BB2-30F
Descriptor: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
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
Last modified:2023-11-22
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
5ZA9
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BU of 5za9 by Molmil
uPA-BB2-50F
Descriptor: 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
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
Last modified:2023-11-22
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

 

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