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4D6T
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BU of 4d6t by Molmil
Cytochrome bc1 bound to the 4(1H)-pyridone GW844520
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-2,6-dimethyl-5-{4-[4-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, CARDIOLIPIN, ...
著者Capper, M.J, O'Neill, P.M, Fisher, N, Strange, R.W, Moss, D, Ward, S.A, Berry, N.G, Lawrenson, A.S, Hasnain, S.S, Biagini, G.A, Antonyuk, S.V.
登録日2014-11-14
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.57 Å)
主引用文献Antimalarial 4(1H)-Pyridones Bind to the Qi Site of Cytochrome Bc1.
Proc.Natl.Acad.Sci.USA, 112, 2015
4D6U
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BU of 4d6u by Molmil
Cytochrome bc1 bound to the 4(1H)-pyridone GSK932121
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, CARDIOLIPIN, ...
著者Capper, M.J, ONeill, P.M, Fisher, N, Strange, R.W, Moss, D, Ward, S.A, Berry, N.G, Lawrenson, A.S, Hasnain, S.S, Biagini, G.A, Antonyuk, S.V.
登録日2014-11-14
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (4.09 Å)
主引用文献Antimalarial 4(1H)-Pyridones Bind to the Qi Site of Cytochrome Bc1.
Proc.Natl.Acad.Sci.USA, 112, 2015
4A7G
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BU of 4a7g by Molmil
Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group.
分子名称: 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE, ACETATE ION, COPPER (II) ION, ...
著者Wright, G.S.A, Kershaw, N.M, Sharma, R, Antonyuk, S.V, Strange, R.W, Berry, N.G, O'Neil, P.M, Hasnain, S.S.
登録日2011-11-14
公開日2012-10-24
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献X-ray crystallography and computational docking for the detection and development of protein-ligand interactions.
Curr.Med.Chem., 20, 2013
2YL3
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BU of 2yl3 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND L16G VARIANT AT 1.04 A RESOLUTION - RESTRAINT REFINED
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C, ...
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-05-31
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YLD
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BU of 2yld by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND AT 1.25 A
分子名称: ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ...
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-06-02
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
6HAW
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BU of 6haw by Molmil
Crystal structure of bovine cytochrome bc1 in complex with 2-pyrazolyl quinolone inhibitor WDH2G7
分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ...
著者Amporndanai, K, Hong, W.D, O'Neill, P.M, Hasnain, S.S, Antonyuk, S.V.
登録日2018-08-08
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Potent Antimalarial 2-Pyrazolyl Quinolonebc1(Qi) Inhibitors with Improved Drug-like Properties.
ACS Med Chem Lett, 9, 2018
6ZFU
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BU of 6zfu by Molmil
Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor RKA066
分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V.
登録日2020-06-17
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials
To Be Published
6ZFT
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BU of 6zft by Molmil
Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor CK-2-68
分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V.
登録日2020-06-17
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials
To Be Published
6ZFS
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BU of 6zfs by Molmil
Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor WDH-1U-4
分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Amporndanai, K, O'Neill, P.M, Hong, W.D, Amewu, R.K, Pidathala, C, Berry, N.G, Biagini, G.A, Leung, S.C, Hasnain, S.S, Antonyuk, S.V.
登録日2020-06-17
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials
To Be Published
7R3V
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BU of 7r3v by Molmil
Crystal structure of bovine Cytochrome bc1 in complex with inhibitor CK-2-67.
分子名称: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
著者Pinthong, N, Amporndanai, K, O'Neill, P.M, Hasnain, S.S, Antonyuk, S.
登録日2022-02-07
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Targeting the Ubiquinol-Reduction (Q i ) Site of the Mitochondrial Cytochrome bc 1 Complex for the Development of Next Generation Quinolone Antimalarials.
Biology (Basel), 11, 2022
6EVQ
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BU of 6evq by Molmil
solution NMR structure of EB1 C terminus (191-260) with a small molecule bound into the SxIP binding site
分子名称: (2~{R})-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-~{N}-(furan-2-ylmethyl)propanamide, Microtubule-associated protein RP/EB family member 1
著者Barsukov, I.L, Almeida, T.B.
登録日2017-11-02
公開日2018-02-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Targeting SxIP-EB1 interaction: An integrated approach to the discovery of small molecule modulators of dynamic binding sites.
Sci Rep, 7, 2017
6EVI
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BU of 6evi by Molmil
solution NMR structure of EB1 C terminus (191-260)
分子名称: Microtubule-associated protein RP/EB family member 1
著者Barsukov, I.L, Almeida, T.B.
登録日2017-11-01
公開日2018-02-07
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Targeting SxIP-EB1 interaction: An integrated approach to the discovery of small molecule modulators of dynamic binding sites.
Sci Rep, 7, 2017
2YKZ
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BU of 2ykz by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS AT 0.84 A RESOLUTION: RESTRAINED REFINEMENT
分子名称: CYTOCHROME C', HEME C, SULFATE ION
著者Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2011-05-30
公開日2011-10-05
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YL0
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BU of 2yl0 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: AS ISOLATED L16A VARIANT AT 0.95 A RESOLUTION
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2011-05-30
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YL7
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BU of 2yl7 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: AS ISOLATED L16G VARIANT AT 0.9 A RESOLUTION - RESTRAINT REFINEMENT
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-05-31
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YLG
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BU of 2ylg by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: ASCORBATE AND CARBON MONOOXIDE BOUND L16A VARIANT AT 1.05 A RESOLUTION
分子名称: ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ...
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-06-02
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YLI
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BU of 2yli by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS IN ITS FERROUS FORM AT 1.45 A
分子名称: CYTOCHROME C', HEME C
著者Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2011-06-02
公開日2012-04-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YL1
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BU of 2yl1 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND L16A VARIANT AT 1.03 A RESOLUTION - Restraint refinement
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2011-05-30
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ZQY
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BU of 3zqy by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND L16A VARIANT AT 1.03 A RESOLUTION- NON-RESTRAINT REFINEMENT
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-06-12
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ZTM
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BU of 3ztm by Molmil
Cytochrome c prime from alcaligenes xylosoxidans: as isolated L16G variant at 0.9 A resolution: unrestraint refinement
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-07-11
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ZWI
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BU of 3zwi by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND AT 1.25 A:UNRESTRAINT REFINEMENT
分子名称: ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ...
著者Antonyuk, S, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-07-31
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas-Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
4A7Q
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BU of 4a7q by Molmil
Structure of human I113T SOD1 mutant complexed with 4-(4-methyl-1,4- diazepan-1-yl)quinazoline in the p21 space group.
分子名称: 4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE, COPPER (II) ION, SULFATE ION, ...
著者Wright, G.S.A, Kershaw, N.M, Antonyuk, S.V, Strange, R.W, ONeil, P.M, Hasnain, S.S.
登録日2011-11-14
公開日2012-10-24
最終更新日2013-08-28
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献X-Ray Crystallography and Computational Docking for the Detection and Development of Protein-Ligand Interactions.
Curr.Med.Chem., 20, 2013
3ZQV
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BU of 3zqv by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS AT 0.84 A RESOLUTION: NON-RESTRAINED REFINEMENT
分子名称: CYTOCHROME C', HEME C, SULFATE ION
著者Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2011-06-12
公開日2011-10-05
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ZTZ
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BU of 3ztz by Molmil
Cytochrome c prime from alcaligenes xylosoxidans: carbon monooxide bound L16G variant at 1.05 A resolution: unrestraint refinement
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-07-12
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011

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