6G4N
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![BU of 6g4n by Molmil](/molmil-images/mine/6g4n) | Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-28 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6G17
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![BU of 6g17 by Molmil](/molmil-images/mine/6g17) | Non-aged form of Torpedo californica acetylcholinesterase inhibited by nerve agent tabun | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-20 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6G4P
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![BU of 6g4p by Molmil](/molmil-images/mine/6g4p) | Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-28 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6G4M
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![BU of 6g4m by Molmil](/molmil-images/mine/6g4m) | Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 1 | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-28 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6G4O
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![BU of 6g4o by Molmil](/molmil-images/mine/6g4o) | Non-aged form of Torpedo californica acetylcholinesterase inhibited by tabun analog NEDPA bound to uncharged reactivator 1 | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-03-28 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6EZH
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![BU of 6ezh by Molmil](/molmil-images/mine/6ezh) | Torpedo californica AChE in complex with indolic multi-target directed ligand | Descriptor: | 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Santoni, G, Lalut, J, Karila, D, Lecoutey, C, Davis, A, Nachon, F, Sillman, I, Sussman, J, Weik, M, Maurice, T, Dallemagne, P, Rochais, C. | Deposit date: | 2017-11-15 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase. Eur J Med Chem, 162, 2018
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6EZG
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![BU of 6ezg by Molmil](/molmil-images/mine/6ezg) | Torpedo californica AChE in complex with indolic multi-target directed ligand | Descriptor: | 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Santoni, G, Lalut, J, Karila, D, Lecoutey, C, Davis, A, Nachon, F, Sillman, I, Sussman, J, Weik, M, Maurice, T, Dallemagne, P, Rochais, C. | Deposit date: | 2017-11-15 | Release date: | 2018-11-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase. Eur J Med Chem, 162, 2018
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6FQN
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![BU of 6fqn by Molmil](/molmil-images/mine/6fqn) | Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, ... | Authors: | De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-02-14 | Release date: | 2018-08-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.30002666 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6FLD
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![BU of 6fld by Molmil](/molmil-images/mine/6fld) | Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 1 | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, ... | Authors: | De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. | Deposit date: | 2018-01-25 | Release date: | 2018-08-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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6HK1
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![BU of 6hk1 by Molmil](/molmil-images/mine/6hk1) | Crystal structure of the Thiazole synthase from Methanothermococcus thermolithotrophicus co-crystallized with Tb-Xo4 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SODIUM ION, ... | Authors: | Engilberge, S, Wagner, T, Santoni, G, Breyton, C, Shima, S, Franzetti, B, Riobe, F, Maury, O, Girard, E. | Deposit date: | 2018-09-05 | Release date: | 2019-06-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Protein crystal structure determination with the crystallophore, a nucleating and phasing agent. J.Appl.Crystallogr., 52, 2019
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6HF6
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![BU of 6hf6 by Molmil](/molmil-images/mine/6hf6) | Crystal structure of the Protease 1 (E29A,E60A,E80A) from Pyrococcus horikoshii co-crystallized with Tb-Xo4. | Descriptor: | Deglycase PH1704, MALONATE ION, TERBIUM(III) ION, ... | Authors: | Engilberge, S, Wagner, T, Santoni, G, Breyton, C, Shima, S, Franzetti, B, Riobe, F, Maury, O, Girard, E. | Deposit date: | 2018-08-21 | Release date: | 2019-06-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein crystal structure determination with the crystallophore, a nucleating and phasing agent. J.Appl.Crystallogr., 52, 2019
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6HF7
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![BU of 6hf7 by Molmil](/molmil-images/mine/6hf7) | Crystal structure of the adenylate kinase from Methanothermococcus thermolithotrophicus co-crystallized with Tb-Xo4 | Descriptor: | Adenylate kinase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Engilberge, S, Wagner, T, Santoni, G, Breyton, C, Shima, S, Franzetti, B, Riobe, F, Maury, O, Girard, E. | Deposit date: | 2018-08-21 | Release date: | 2019-06-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Protein crystal structure determination with the crystallophore, a nucleating and phasing agent. J.Appl.Crystallogr., 52, 2019
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6S46
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![BU of 6s46 by Molmil](/molmil-images/mine/6s46) | Room temperature structure of the LOV2 domain of phototropin-2 from Arabidopsis thaliana 4158 ms after initiation of illumination, determined with a serial crystallography approach | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Aumonier, S, Santoni, G, Gotthard, G, von Stetten, D, Leonard, G, Royant, A. | Deposit date: | 2019-06-26 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Millisecond time-resolved serial oscillation crystallography of a blue-light photoreceptor at a synchrotron. Iucrj, 7, 2020
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6S45
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![BU of 6s45 by Molmil](/molmil-images/mine/6s45) | Room temperature structure of the dark state of the LOV2 domain of phototropin-2 from Arabidopsis thaliana determined with a serial crystallography approach | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Aumonier, S, Santoni, G, Gotthard, G, von Stetten, D, Leonard, G, Royant, A. | Deposit date: | 2019-06-26 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Millisecond time-resolved serial oscillation crystallography of a blue-light photoreceptor at a synchrotron. Iucrj, 7, 2020
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4BC1
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![BU of 4bc1 by Molmil](/molmil-images/mine/4bc1) | Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ... | Authors: | Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M. | Deposit date: | 2012-09-30 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry Chem.Res.Toxicol., 26, 2013
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4BBZ
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![BU of 4bbz by Molmil](/molmil-images/mine/4bbz) | Structure of human butyrylcholinesterase inhibited by CBDP (2-min soak): Cresyl-phosphoserine adduct | Descriptor: | (2-methylphenyl) dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M. | Deposit date: | 2012-09-30 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry Chem.Res.Toxicol., 26, 2013
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4BC0
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![BU of 4bc0 by Molmil](/molmil-images/mine/4bc0) | Structure of mouse acetylcholinesterase inhibited by CBDP (12-h soak) : Cresyl-phosphoserine adduct | Descriptor: | (2-methylphenyl) dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M. | Deposit date: | 2012-09-30 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry Chem.Res.Toxicol., 26, 2013
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6TC4
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![BU of 6tc4 by Molmil](/molmil-images/mine/6tc4) | AA13 Lytic polysaccharide monooxygenase from Aspergillus oryzae measured with SSX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, CHLORIDE ION, ... | Authors: | Tandrup, T, Muderspach, S.J, Frandsen, K.E.H, Santoni, G, Poulsen, J.C.N, Lo Leggio, L. | Deposit date: | 2019-11-05 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Further structural studies of the lytic polysaccharide monooxygenase AoAA13 belonging to the starch-active AA13 family Amylase, 3(1), 2019
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6EMI
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![BU of 6emi by Molmil](/molmil-images/mine/6emi) | Crystal structure of a variant of human butyrylcholinesterase expressed in bacteria. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cholinesterase, ... | Authors: | Brazzolotto, X, Igert, A, Guillon, V, Santoni, G, Nachon, F. | Deposit date: | 2017-10-02 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.476 Å) | Cite: | Bacterial Expression of Human Butyrylcholinesterase as a Tool for Nerve Agent Bioscavengers Development. Molecules, 22, 2017
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7PXT
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![BU of 7pxt by Molmil](/molmil-images/mine/7pxt) | Structure of an LPMO, collected from serial synchrotron crystallography data. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION | Authors: | Tandrup, T, Santoni, G, Lo Leggio, L. | Deposit date: | 2021-10-08 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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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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 | Descriptor: | ACETATE ION, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2021-10-11 | Release date: | 2022-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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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6RXH
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![BU of 6rxh by Molmil](/molmil-images/mine/6rxh) | In-flow serial synchrotron crystallography using a 3D-printed microfluidic device (3D-MiXD): Aspartate alpha-decarboxylase | Descriptor: | Aspartate 1-decarboxylase, UNKNOWN ATOM OR ION | Authors: | Monteiro, D.C.F, von Stetten, D, Pearson, A.R, Trebbin, M. | Deposit date: | 2019-06-08 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 3D-MiXD: 3D-printed X-ray-compatible microfluidic devices for rapid, low-consumption serial synchrotron crystallography data collection in flow. Iucrj, 7, 2020
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6RXI
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![BU of 6rxi by Molmil](/molmil-images/mine/6rxi) | In-flow serial synchrotron crystallography using a 3D-printed microfluidic device (3D-MiXD): Lysozyme | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C, ... | Authors: | Monteiro, D.C.F, von Stetten, D, Pearson, A.R, Trebbin, M. | Deposit date: | 2019-06-08 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 3D-MiXD: 3D-printed X-ray-compatible microfluidic devices for rapid, low-consumption serial synchrotron crystallography data collection in flow. Iucrj, 7, 2020
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6TBR
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![BU of 6tbr by Molmil](/molmil-images/mine/6tbr) | Glycosylated AA13 Lytic polysaccharide monooxygenase from Aspergillus oryzae in P1 space group | Descriptor: | AoAA13, ZINC ION | Authors: | Frandsen, K.E.H, Muderspach, S.J, Tandrup, T, Poulsen, J.C.N, Lo Leggio, L. | Deposit date: | 2019-11-04 | Release date: | 2020-03-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Further structural studies of the lytic polysaccharide monooxygenase AoAA13 belonging to the starch-active AA13 family Amylase, 3(1), 2019
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6TBQ
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![BU of 6tbq by Molmil](/molmil-images/mine/6tbq) | AA13 Lytic polysaccharide monooxygenase from Aspergillus oryzae partially in Cu(II) state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, COPPER (II) ION, ... | Authors: | Muderspach, S.J, Lo Leggio, L, Tandrup, T, Frandsen, K.E.H, Poulsen, J.C.N. | Deposit date: | 2019-11-04 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Further structural studies of the lytic polysaccharide monooxygenase AoAA13 belonging to the starch-active AA13 family Amylase, 3(1), 2019
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