6XVF
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![BU of 6xvf by Molmil](/molmil-images/mine/6xvf) | Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021 | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Amporndanai, K, Hasnain, S.S, Antonyuk, S.V. | Deposit date: | 2020-01-21 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites. Front Cell Infect Microbiol, 10, 2020
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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 | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ... | Authors: | Amporndanai, K, Hong, W.D, O'Neill, P.M, Hasnain, S.S, Antonyuk, S.V. | Deposit date: | 2018-08-08 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Potent Antimalarial 2-Pyrazolyl Quinolonebc1(Qi) Inhibitors with Improved Drug-like Properties. ACS Med Chem Lett, 9, 2018
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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. | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Amporndanai, K, O'Neill, P.M, Hasnain, S.S, Antonyuk, S.V. | Deposit date: | 2017-07-25 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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7T8F
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![BU of 7t8f by Molmil](/molmil-images/mine/7t8f) | |
7T8E
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![BU of 7t8e by Molmil](/molmil-images/mine/7t8e) | G93A mutant of human SOD1 in P21 space group | Descriptor: | ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... | Authors: | Amporndanai, K, Hasnain, S.S. | Deposit date: | 2021-12-16 | Release date: | 2023-01-25 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement. Sci Rep, 14, 2024
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7T8H
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![BU of 7t8h by Molmil](/molmil-images/mine/7t8h) | |
7T8G
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![BU of 7t8g by Molmil](/molmil-images/mine/7t8g) | |
7BAJ
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![BU of 7baj by Molmil](/molmil-images/mine/7baj) | |
7BAK
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![BU of 7bak by Molmil](/molmil-images/mine/7bak) | |
7BAL
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![BU of 7bal by Molmil](/molmil-images/mine/7bal) | |
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 | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | 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. | Deposit date: | 2020-06-17 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | 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 | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | 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. | Deposit date: | 2020-06-17 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | 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 | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | 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. | Deposit date: | 2020-06-17 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | 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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6Z4K
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![BU of 6z4k by Molmil](/molmil-images/mine/6z4k) | |
6Z4J
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![BU of 6z4j by Molmil](/molmil-images/mine/6z4j) | |
6Z4M
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![BU of 6z4m by Molmil](/molmil-images/mine/6z4m) | |
6Z4G
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![BU of 6z4g by Molmil](/molmil-images/mine/6z4g) | |
6Z3V
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![BU of 6z3v by Molmil](/molmil-images/mine/6z3v) | |
6Z4I
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![BU of 6z4i by Molmil](/molmil-images/mine/6z4i) | |
6Z4O
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![BU of 6z4o by Molmil](/molmil-images/mine/6z4o) | |
6Z4H
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![BU of 6z4h by Molmil](/molmil-images/mine/6z4h) | |
6Z4L
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![BU of 6z4l by Molmil](/molmil-images/mine/6z4l) | |
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. | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | Authors: | Pinthong, N, Amporndanai, K, O'Neill, P.M, Hasnain, S.S, Antonyuk, S. | Deposit date: | 2022-02-07 | Release date: | 2022-08-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | 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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8UJY
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![BU of 8ujy by Molmil](/molmil-images/mine/8ujy) | Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8) | Descriptor: | (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5 | Authors: | Zhao, B, Amporndanai, K, Fesik, S.W. | Deposit date: | 2023-10-11 | Release date: | 2023-12-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors. J.Med.Chem., 66, 2023
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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 | Descriptor: | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol, Cytochrome b, Cytochrome b-c1 complex subunit 1, ... | Authors: | 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. | Deposit date: | 2018-02-06 | Release date: | 2018-02-28 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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