8A2P
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![BU of 8a2p by Molmil](/molmil-images/mine/8a2p) | Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography | 分子名称: | 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | 著者 | Moraes, I, Kwan, T.O.C, Axford, D. | 登録日 | 2022-06-06 | 公開日 | 2023-08-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
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8A2O
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![BU of 8a2o by Molmil](/molmil-images/mine/8a2o) | Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | 著者 | Moraes, I, Kwan, T.O.C, Axford, D. | 登録日 | 2022-06-06 | 公開日 | 2023-08-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | 主引用文献 | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
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6S6C
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![BU of 6s6c by Molmil](/molmil-images/mine/6s6c) | Ground state structure of Archaerhodopsin-3 at 100K | 分子名称: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | 著者 | Moraes, I, Judge, P.J, Axford, D, Kwan, T.O.C, Bada Juarez, J.F, Vinals, J, Watts, A. | 登録日 | 2019-07-02 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization. Nat Commun, 12, 2021
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6S63
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![BU of 6s63 by Molmil](/molmil-images/mine/6s63) | Dark-adapted structure of Archaerhodopsin-3 obtained from LCP crystals using a thin-film sandwich at room temperature | 分子名称: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | 著者 | Moraes, I, Judge, P.J, Axford, D, Bada Juarez, J.F, Vinals, J, Watts, A. | 登録日 | 2019-07-02 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Two states of a light-sensitive membrane protein captured at room temperature using thin-film sample mounts. Acta Crystallogr D Struct Biol, 78, 2022
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6GUX
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![BU of 6gux by Molmil](/molmil-images/mine/6gux) | Dark-adapted structure of Archaerhodopsin-3 at 100K | 分子名称: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | 著者 | Moraes, I, Judge, P.J, Bada Juarez, J.F, Vinals, J, Axford, D, Watts, A. | 登録日 | 2018-06-19 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization. Nat Commun, 12, 2021
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6GUZ
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![BU of 6guz by Molmil](/molmil-images/mine/6guz) | Ground state structure of Archaerhodopsin-3 obtained from LCP crystals using a thin-film sandwich at room temperature | 分子名称: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | 著者 | Moraes, I, Judge, P.J, Bada Juarez, J.F, Vinals, J, Axford, D, Watts, A. | 登録日 | 2018-06-19 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Room temperature structure of the Archaerhodopsin-3 obtained from LCP crystals using a thin-film sandwich To Be Published
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6GUY
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![BU of 6guy by Molmil](/molmil-images/mine/6guy) | Room temperature structure of Archaerhodopsin-3 via LCP extruder using synchrotron radiation | 分子名称: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | 著者 | Moraes, I, Judge, P.J, Axford, D, Bada Juarez, J.F, Vinals, J, Watts, A. | 登録日 | 2018-06-19 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Room temperature structure of Archaerhodopsin-3 via LCP extruder using synchrotron radiation To Be Published
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3L6C
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![BU of 3l6c by Molmil](/molmil-images/mine/3l6c) | X-ray crystal structure of rat serine racemase in complex with malonate a potent inhibitor | 分子名称: | MALONATE ION, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Smith, M.A, Mack, V, Ebneth, A, Moraes, I, Felicetti, B, Wood, M, Schonfeld, D, Mather, O, Cesura, A, Barker, J. | 登録日 | 2009-12-23 | 公開日 | 2010-01-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding. J.Biol.Chem., 285, 2010
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7ZY3
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![BU of 7zy3 by Molmil](/molmil-images/mine/7zy3) | Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation | 分子名称: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | 著者 | Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F. | 登録日 | 2022-05-23 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
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4MND
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![BU of 4mnd by Molmil](/molmil-images/mine/4mnd) | Crystal structure of Archaeoglobus fulgidus IPCT-DIPPS bifunctional membrane protein | 分子名称: | CTP L-myo-inositol-1-phosphate cytidylyltransferase/CDP-L-myo-inositol myo-inositolphosphotransferase, EICOSANE, MAGNESIUM ION | 著者 | Nogly, P, Gushchin, I, Remeeva, A, Esteves, A.M, Ishchenko, A, Ma, P, Grudinin, S, Borges, N, Round, E, Moraes, I, Borshchevskiy, V, Santos, H, Gordeliy, V, Archer, M. | 登録日 | 2013-09-10 | 公開日 | 2014-07-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | X-ray structure of a CDP-alcohol phosphatidyltransferase membrane enzyme and insights into its catalytic mechanism. Nat Commun, 5, 2014
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4X31
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![BU of 4x31 by Molmil](/molmil-images/mine/4x31) | Room temperature structure of bacteriorhodopsin from lipidic cubic phase obtained with serial millisecond crystallography using synchrotron radiation | 分子名称: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | 著者 | Nogly, P, James, D, Wang, D, White, T, Zatsepin, N, Shilova, A, Nelson, G, Liu, H, Johansson, L, Heymann, M, Jaeger, K, Metz, M, Wickstrand, C, Wu, W, Baath, P, Berntsen, P, Oberthuer, D, Panneels, V, Cherezov, V, Chapman, H, Spence, J, Schertler, G, Neutze, R, Moraes, I, Burghammer, M, Standfuss, J, Weierstall, U. | 登録日 | 2014-11-27 | 公開日 | 2015-02-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Lipidic cubic phase serial millisecond crystallography using synchrotron radiation. Iucrj, 2, 2015
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6PRZ
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![BU of 6prz by Molmil](/molmil-images/mine/6prz) | XFEL beta2 AR structure by ligand exchange from Alprenolol to Alprenolol. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, CHOLESTEROL, ... | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PS0
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![BU of 6ps0 by Molmil](/molmil-images/mine/6ps0) | XFEL beta2 AR structure by ligand exchange from Alprenolol to Carazolol. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, CHOLESTEROL, ... | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PS3
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![BU of 6ps3 by Molmil](/molmil-images/mine/6ps3) | XFEL beta2 AR structure by ligand exchange from Timolol to Carvedilol. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, CHOLESTEROL, ... | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PS6
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![BU of 6ps6 by Molmil](/molmil-images/mine/6ps6) | XFEL beta2 AR structure by ligand exchange from Timolol to Timolol. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PS1
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![BU of 6ps1 by Molmil](/molmil-images/mine/6ps1) | XFEL beta2 AR structure by ligand exchange from Alprenolol to Timolol. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, CHOLESTEROL, ... | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PS8
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![BU of 6ps8 by Molmil](/molmil-images/mine/6ps8) | XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin. | 分子名称: | Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PS4
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![BU of 6ps4 by Molmil](/molmil-images/mine/6ps4) | XFEL beta2 AR structure by ligand exchange from Timolol to ICI-118551. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol, CHOLESTEROL, ... | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PS5
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![BU of 6ps5 by Molmil](/molmil-images/mine/6ps5) | XFEL beta2 AR structure by ligand exchange from Timolol to Propranolol. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, CHOLESTEROL, ... | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PS7
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![BU of 6ps7 by Molmil](/molmil-images/mine/6ps7) | XFEL A2aR structure by ligand exchange from LUF5843 to ZM241385. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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6PS2
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![BU of 6ps2 by Molmil](/molmil-images/mine/6ps2) | XFEL beta2 AR structure by ligand exchange from Timolol to Alprenolol. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ... | 著者 | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | 登録日 | 2019-07-12 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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8PWN
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![BU of 8pwn by Molmil](/molmil-images/mine/8pwn) | Structure of A2A adenosine receptor A2AR-StaR2-bRIL, solved at wavelength 2.75 A | 分子名称: | Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, OLEIC ACID, ... | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Romano, M, Moraes, I, Wagner, A. | 登録日 | 2023-07-20 | 公開日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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3L6B
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![BU of 3l6b by Molmil](/molmil-images/mine/3l6b) | X-ray crystal structure of human serine racemase in complex with malonate a potent inhibitor | 分子名称: | MALONATE ION, MANGANESE (II) ION, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Smith, M.A, Barker, J, Mack, V, Ebneth, A, Moraes, I, Felicetti, B, Cesura, A. | 登録日 | 2009-12-23 | 公開日 | 2010-01-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The structure of mammalian serine racemase: evidence for conformational changes upon inhibitor binding. J.Biol.Chem., 285, 2010
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5FGN
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![BU of 5fgn by Molmil](/molmil-images/mine/5fgn) | |
3PF3
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![BU of 3pf3 by Molmil](/molmil-images/mine/3pf3) | Crystal structure of a mutant (C202A) of Triosephosphate isomerase from Giardia lamblia derivatized with MMTS | 分子名称: | CALCIUM ION, GLYCEROL, SULFATE ION, ... | 著者 | Enriquez-Flores, S, Rodriguez-Romero, A, Hernandez-Santoyo, A, Reyes-Vivas, H. | 登録日 | 2010-10-27 | 公開日 | 2011-06-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | Determining the molecular mechanism of inactivation by chemical modification of triosephosphate isomerase from the human parasite Giardia lamblia: A study for antiparasitic drug design. Proteins, 79, 2011
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