8BA5
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![BU of 8ba5 by Molmil](/molmil-images/mine/8ba5) | Crystal structure of the DNMT3A ADD domain | 分子名称: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, MAGNESIUM ION, ... | 著者 | Linhard, V, Kunert, S, Wollenhaupt, J, Broehm, A, Schwalbe, H, Jeltsch, A. | 登録日 | 2022-10-11 | 公開日 | 2022-11-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | The MECP2-TRD domain interacts with the DNMT3A-ADD domain at the H3-tail binding site. Protein Sci., 32, 2023
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5M6U
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![BU of 5m6u by Molmil](/molmil-images/mine/5m6u) | HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 | 分子名称: | 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A. | 登録日 | 2016-10-26 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017
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6Q6C
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![BU of 6q6c by Molmil](/molmil-images/mine/6q6c) | Pore-modulating toxins exploit inherent slow inactivation to block K+ channels | 分子名称: | 1,2-ETHANEDIOL, Kunitz-type conkunitzin-S1, NITRATE ION, ... | 著者 | Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E. | 登録日 | 2018-12-10 | 公開日 | 2019-08-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Pore-modulating toxins exploit inherent slow inactivation to block K+channels. Proc.Natl.Acad.Sci.USA, 116, 2019
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6P7A
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![BU of 6p7a by Molmil](/molmil-images/mine/6p7a) | CRYSTAL STRUCTURE OF THE FOWLPOX VIRUS HOLLIDAY JUNCTION RESOLVASE | 分子名称: | CADMIUM ION, Holliday junction resolvase | 著者 | Li, N, Shi, K, Banerjee, S, Rao, T, Aihara, H. | 登録日 | 2019-06-05 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.081 Å) | 主引用文献 | Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase. Sci Rep, 10, 2020
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8P7I
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![BU of 8p7i by Molmil](/molmil-images/mine/8p7i) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | (2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol, FORMIC ACID, Parathion hydrolase, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7S
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![BU of 8p7s by Molmil](/molmil-images/mine/8p7s) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1,2-ETHANEDIOL, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-31 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7N
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![BU of 8p7n by Molmil](/molmil-images/mine/8p7n) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | FORMIC ACID, Parathion hydrolase, ZINC ION | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7V
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![BU of 8p7v by Molmil](/molmil-images/mine/8p7v) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1,2-ETHANEDIOL, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ... | 著者 | Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-31 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.737 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7Q
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![BU of 8p7q by Molmil](/molmil-images/mine/8p7q) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7U
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![BU of 8p7u by Molmil](/molmil-images/mine/8p7u) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-31 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7R
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![BU of 8p7r by Molmil](/molmil-images/mine/8p7r) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7T
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![BU of 8p7t by Molmil](/molmil-images/mine/8p7t) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-31 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7M
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![BU of 8p7m by Molmil](/molmil-images/mine/8p7m) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | FORMIC ACID, GLYCEROL, METHYLPHOSPHONIC ACID ESTER GROUP, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7H
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![BU of 8p7h by Molmil](/molmil-images/mine/8p7h) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | 1,2-ETHANEDIOL, 2-methylidene-1,3-dioxane-4,4-diol, FORMIC ACID, ... | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.774 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7F
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![BU of 8p7f by Molmil](/molmil-images/mine/8p7f) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | Parathion hydrolase, ZINC ION | 著者 | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-11-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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6P7B
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![BU of 6p7b by Molmil](/molmil-images/mine/6p7b) | Crystal structure of Fowlpox virus resolvase and substrate Holliday junction DNA complex | 分子名称: | DNA (29-MER), Holliday junction resolvase | 著者 | Li, N, Shi, K, Rao, T, Banerjee, S, Aihara, H. | 登録日 | 2019-06-05 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.317 Å) | 主引用文献 | Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase. Sci Rep, 10, 2020
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6V3R
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![BU of 6v3r by Molmil](/molmil-images/mine/6v3r) | Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline, ... | 著者 | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | 登録日 | 2019-11-26 | 公開日 | 2020-02-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors. Acs Med.Chem.Lett., 11, 2020
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8GKV
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![BU of 8gkv by Molmil](/molmil-images/mine/8gkv) | Crystal structure of anti-adaptor IraP that regulates RpoS proteolysis | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Shaw, G.X, Gan, J, Suburaman, P, Battesti, A, Zhou, Y.N, Wickner, S, Gottesman, S, Ji, X. | 登録日 | 2023-03-20 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.351 Å) | 主引用文献 | Structural and functional study of anti-adaptor IraP-mediated regulation of RpoS proteolysis to be published
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5VGL
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![BU of 5vgl by Molmil](/molmil-images/mine/5vgl) | Crystal structure of lachrymatory factor synthase from Allium cepa | 分子名称: | Lachrymatory-factor synthase | 著者 | Silvaroli, J.A, Pleshinger, M.J, Banerjee, S, Kiser, P.D, Golczak, M. | 登録日 | 2017-04-11 | 公開日 | 2017-07-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Enzyme That Makes You Cry-Crystal Structure of Lachrymatory Factor Synthase from Allium cepa. ACS Chem. Biol., 12, 2017
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8P7K
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![BU of 8p7k by Molmil](/molmil-images/mine/8p7k) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | 分子名称: | (2~{R})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ... | 著者 | Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | 登録日 | 2023-05-30 | 公開日 | 2023-06-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.929 Å) | 主引用文献 | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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5VGS
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![BU of 5vgs by Molmil](/molmil-images/mine/5vgs) | Crystal structure of lachrymatory factor synthase from Allium cepa in complex with crotyl alcohol | 分子名称: | (2E)-but-2-en-1-ol, (2Z)-but-2-en-1-ol, Lachrymatory-factor synthase | 著者 | Silvaroli, J.A, Pleshinger, M.J, Banerjee, S, Kiser, P.D, Golczak, M. | 登録日 | 2017-04-11 | 公開日 | 2017-07-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Enzyme That Makes You Cry-Crystal Structure of Lachrymatory Factor Synthase from Allium cepa. ACS Chem. Biol., 12, 2017
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5XZE
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![BU of 5xze by Molmil](/molmil-images/mine/5xze) | Mouse cGAS bound to the inhibitor RU332 | 分子名称: | (3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ... | 著者 | Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M. | 登録日 | 2017-07-12 | 公開日 | 2017-10-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.177 Å) | 主引用文献 | Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice. Nat Commun, 8, 2017
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6FYH
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![BU of 6fyh by Molmil](/molmil-images/mine/6fyh) | Disulfide between ubiquitin G76C and the E3 HECT ligase Huwe1 | 分子名称: | E3 ubiquitin-protein ligase HUWE1, Polyubiquitin-B, SULFATE ION, ... | 著者 | Jaeckl, M, Hartmann, M.D, Wiesner, S. | 登録日 | 2018-03-12 | 公開日 | 2018-07-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.906 Å) | 主引用文献 | beta-Sheet Augmentation Is a Conserved Mechanism of Priming HECT E3 Ligases for Ubiquitin Ligation. J. Mol. Biol., 430, 2018
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7PYU
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![BU of 7pyu by Molmil](/molmil-images/mine/7pyu) | Structure of an LPMO (expressed in E.coli) at 1.49x10^4 Gy | 分子名称: | ACETATE ION, Auxiliary activity 9, CHLORIDE ION, ... | 著者 | Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L. | 登録日 | 2021-10-11 | 公開日 | 2022-08-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
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6YR6
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![BU of 6yr6 by Molmil](/molmil-images/mine/6yr6) | 14-3-3 sigma in complex with hDM2-186 peptide | 分子名称: | 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, ... | 著者 | Wolter, M, Srdanovic, S, Warriner, S, Wilson, A, Ottmann, C. | 登録日 | 2020-04-19 | 公開日 | 2021-11-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study. Febs J., 2022
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