4A7G
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![BU of 4a7g by Molmil](/molmil-images/mine/4a7g) | 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
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7BAJ
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7BAK
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7BAL
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![BU of 7bal by Molmil](/molmil-images/mine/7bal) | |
6HAW
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![BU of 6haw by Molmil](/molmil-images/mine/6haw) | 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
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6ZFU
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![BU of 6zfu by Molmil](/molmil-images/mine/6zfu) | 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
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6ZFT
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![BU of 6zft by Molmil](/molmil-images/mine/6zft) | 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
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6ZFS
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![BU of 6zfs by Molmil](/molmil-images/mine/6zfs) | 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
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7R3V
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![BU of 7r3v by Molmil](/molmil-images/mine/7r3v) | 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
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5OKD
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![BU of 5okd by Molmil](/molmil-images/mine/5okd) | Crystal structure of bovine Cytochrome bc1 in complex with inhibitor SCR0911. | 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, Hasnain, S.S, Antonyuk, S.V. | 登録日 | 2017-07-25 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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6FO2
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![BU of 6fo2 by Molmil](/molmil-images/mine/6fo2) | CryoEM structure of bovine cytochrome bc1 with no ligand bound | 分子名称: | Cytochrome b, Cytochrome b-c1 complex subunit 1, mitochondrial, ... | 著者 | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | 登録日 | 2018-02-05 | 公開日 | 2018-02-28 | 最終更新日 | 2019-12-11 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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6FO0
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![BU of 6fo0 by Molmil](/molmil-images/mine/6fo0) | CryoEM structure of bovine cytochrome bc1 in complex with the anti-malarial compound GSK932121 | 分子名称: | 3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, Chain I/V, Cytochrome b, ... | 著者 | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | 登録日 | 2018-02-05 | 公開日 | 2018-02-28 | 最終更新日 | 2019-12-11 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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6FO6
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![BU of 6fo6 by Molmil](/molmil-images/mine/6fo6) | CryoEM structure of bovine cytochrome bc1 in complex with the anti-malarial inhibitor SCR0911 | 分子名称: | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol, Cytochrome b, Cytochrome b-c1 complex subunit 1, ... | 著者 | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | 登録日 | 2018-02-06 | 公開日 | 2018-02-28 | 最終更新日 | 2019-12-11 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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4D6T
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![BU of 4d6t by Molmil](/molmil-images/mine/4d6t) | 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
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6Z4G
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6Z4I
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![BU of 6z4i by Molmil](/molmil-images/mine/6z4i) | |
6Z3V
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6Z4O
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4A7Q
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![BU of 4a7q by Molmil](/molmil-images/mine/4a7q) | 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
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4D6U
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![BU of 4d6u by Molmil](/molmil-images/mine/4d6u) | 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
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6SPH
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![BU of 6sph by Molmil](/molmil-images/mine/6sph) | A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 WITH EBSELEN BOND IN C2 SPACE GROUP | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, N-phenyl-2-selanylbenzamide, ... | 著者 | Shahid, M, Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S. | 登録日 | 2019-09-01 | 公開日 | 2020-03-18 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy. Commun Biol, 3, 2020
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6SPK
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![BU of 6spk by Molmil](/molmil-images/mine/6spk) | A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 6 | 分子名称: | 2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Chantadul, V, Amporndanai, K, Wright, G, Shahid, M, Antonyuk, S, Hasnain, S. | 登録日 | 2019-09-01 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy. Commun Biol, 3, 2020
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6SPJ
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![BU of 6spj by Molmil](/molmil-images/mine/6spj) | A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 1 | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S. | 登録日 | 2019-09-01 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy. Commun Biol, 3, 2020
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6Z4J
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6Z4H
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![BU of 6z4h by Molmil](/molmil-images/mine/6z4h) | |