6TJC
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![BU of 6tjc by Molmil](/molmil-images/mine/6tjc) | Crystal structure of the computationally designed Cake3 protein | 分子名称: | Cake3, GLYCEROL, PHOSPHATE ION | 著者 | Laier, I, Mylemans, B, Voet, A.R.D, Noguchi, H. | 登録日 | 2019-11-26 | 公開日 | 2020-05-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural plasticity of a designer protein sheds light on beta-propeller protein evolution. Febs J., 288, 2021
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6T4S
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6TJG
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![BU of 6tjg by Molmil](/molmil-images/mine/6tjg) | Crystal structure of the computationally designed Cake8 protein | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cake8 | 著者 | Laier, I, Mylemans, B, Noguchi, H, Voet, A.R.D. | 登録日 | 2019-11-26 | 公開日 | 2020-05-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural plasticity of a designer protein sheds light on beta-propeller protein evolution. Febs J., 288, 2021
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5N83
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6T5D
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5N8I
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![BU of 5n8i by Molmil](/molmil-images/mine/5n8i) | Serial Cu nitrite reductase structures at elevated cryogenic temperature, 100K reference dataset. | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION | 著者 | Horrell, S, Kekilli, D, Hough, M, Strange, R. | 登録日 | 2017-02-23 | 公開日 | 2017-07-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase. IUCrJ, 4, 2017
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7BAF
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![BU of 7baf by Molmil](/molmil-images/mine/7baf) | Crystal structure of PAFB in complex with zinc | 分子名称: | ACETATE ION, Antifungal protein, ZINC ION | 著者 | Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. | 登録日 | 2020-12-15 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.123 Å) | 主引用文献 | Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. J.Struct.Biol., 213, 2021
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6TLH
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5NA8
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7BAE
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![BU of 7bae by Molmil](/molmil-images/mine/7bae) | Crystal structure of PAFB | 分子名称: | Antifungal protein | 著者 | Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. | 登録日 | 2020-12-15 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene. J.Struct.Biol., 213, 2021
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6T7F
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![BU of 6t7f by Molmil](/molmil-images/mine/6t7f) | RCR E3 ligase E2-Ubiquitin transthiolation intermediate | 分子名称: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide, E3 ubiquitin-protein ligase MYCBP2, Polyubiquitin-C, ... | 著者 | Mabbitt, P.D, Virdee, S. | 登録日 | 2019-10-21 | 公開日 | 2020-08-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Structural basis for RING-Cys-Relay E3 ligase activity and its role in axon integrity. Nat.Chem.Biol., 16, 2020
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7C20
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6TMA
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5NBU
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7BBC
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![BU of 7bbc by Molmil](/molmil-images/mine/7bbc) | Joint X-ray/neutron room temperature structure of perdeuterated PLL lectin in complex with perdeuterated L-fucose | 分子名称: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | 登録日 | 2020-12-17 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions. Structure, 29, 2021
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6T8N
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![BU of 6t8n by Molmil](/molmil-images/mine/6t8n) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 | 分子名称: | 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... | 著者 | Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2019-10-24 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 To Be Published
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5NE1
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![BU of 5ne1 by Molmil](/molmil-images/mine/5ne1) | L2 class A serine-beta-lactamase in complex with cyclic boronate 2 | 分子名称: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Beta-lactamase, TRIETHYLENE GLYCOL | 著者 | Hinchliffe, P, Calvopina, K, Spencer, J. | 登録日 | 2017-03-09 | 公開日 | 2017-09-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates. Mol. Microbiol., 106, 2017
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7BY9
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![BU of 7by9 by Molmil](/molmil-images/mine/7by9) | Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) complexed with Oxaloacetic Acid (OAA) and Nicotinamide Adenine Dinucleotide (NAD) | 分子名称: | Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXALOACETATE ION | 著者 | Shimozawa, Y, Nakamura, T, Himiyama, T, Nishiya, Y. | 登録日 | 2020-04-22 | 公開日 | 2021-03-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural analysis and reaction mechanism of malate dehydrogenase from Geobacillus stearothermophilus. J.Biochem., 170, 2021
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5NC0
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![BU of 5nc0 by Molmil](/molmil-images/mine/5nc0) | The 0.91 A resolution structure of the L16G mutant of cytochrome c prime from Alcaligenes xylosoxidans, complexed with nitric oxide | 分子名称: | 1,2-ETHANEDIOL, Cytochrome c', HEME C, ... | 著者 | Strange, R, Hough, M, Antonyuk, S, Rustage, N. | 登録日 | 2017-03-02 | 公開日 | 2018-01-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (0.91 Å) | 主引用文献 | Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory. Inorg Chem, 56, 2017
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6T9W
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![BU of 6t9w by Molmil](/molmil-images/mine/6t9w) | Crystal structure of formate dehydrogenase FDH2 D222A/Q223R enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and azide. | 分子名称: | AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | 登録日 | 2019-10-29 | 公開日 | 2020-08-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice Chemcatchem, 2020
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6T77
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![BU of 6t77 by Molmil](/molmil-images/mine/6t77) | Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution | 分子名称: | 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | 登録日 | 2019-10-21 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens. Bioorg.Med.Chem., 30, 2021
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6TB6
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![BU of 6tb6 by Molmil](/molmil-images/mine/6tb6) | Crystal structure of formate dehydrogenase FDH2 D222S/Q223R enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and azide. | 分子名称: | AZIDE ION, COBALT (II) ION, Formate dehydrogenase, ... | 著者 | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | 登録日 | 2019-11-01 | 公開日 | 2020-08-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice Chemcatchem, 2020
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5NE5
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![BU of 5ne5 by Molmil](/molmil-images/mine/5ne5) | Crystal structure of family 47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with kifunensine | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, KIFUNENSINE, ... | 著者 | Males, A, Davies, G.J. | 登録日 | 2017-03-09 | 公開日 | 2017-03-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach. Chembiochem, 18, 2017
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7BYA
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![BU of 7bya by Molmil](/molmil-images/mine/7bya) | Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) complexed with Oxaloacetic Acid (OAA) and Adenosine 5'-Diphosphoribose (APR) | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, Malate dehydrogenase, OXALOACETATE ION | 著者 | Shimozawa, Y, Nakamura, T, Himiyama, T, Nishiya, Y. | 登録日 | 2020-04-22 | 公開日 | 2021-03-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural analysis and reaction mechanism of malate dehydrogenase from Geobacillus stearothermophilus. J.Biochem., 170, 2021
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6TJQ
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![BU of 6tjq by Molmil](/molmil-images/mine/6tjq) | Crystal Structure of Recombinant GBA in Complex with 2-Deoxy-2-fluoro-beta-D-glucopyranoside | 分子名称: | (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Rowland, R.J, Davies, G.J. | 登録日 | 2019-11-26 | 公開日 | 2020-06-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis. Acta Crystallogr D Struct Biol, 76, 2020
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