6WQA
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![BU of 6wqa by Molmil](/molmil-images/mine/6wqa) | 2.0A angstrom A2a adenosine receptor structure using XFEL data collected in helium atmosphere. | Descriptor: | (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, ... | Authors: | Lee, M.-Y, Geiger, J, Ishchenko, A, Han, G.W, Barty, A, White, T.A, Gati, C, Batyuk, A, Hunter, M.S, Aquila, A, Boutet, S, Weierstall, U, Cherezov, V, Liu, W. | Deposit date: | 2020-04-28 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Harnessing the power of an X-ray laser for serial crystallography of membrane proteins crystallized in lipidic cubic phase Iucrj, 7, 2020
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1G8Z
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![BU of 1g8z by Molmil](/molmil-images/mine/1g8z) | HIS57ALA MUTANT OF CHOLERA TOXIN B-PENATMER | Descriptor: | CHOLERA TOXIN B PROTEIN, beta-D-galactopyranose | Authors: | Aman, A.T, Fraser, S, Merritt, E.A, Rodigherio, C, Kenny, M. | Deposit date: | 2000-11-21 | Release date: | 2001-07-25 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A mutant cholera toxin B subunit that binds GM1- ganglioside but lacks immunomodulatory or toxic activity. Proc.Natl.Acad.Sci.USA, 98, 2001
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8IYB
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![BU of 8iyb by Molmil](/molmil-images/mine/8iyb) | Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | Authors: | Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M. | Deposit date: | 2023-04-04 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii. Int.J.Biol.Macromol., 253, 2023
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8IYC
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![BU of 8iyc by Molmil](/molmil-images/mine/8iyc) | Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M. | Deposit date: | 2023-04-04 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii. Int.J.Biol.Macromol., 253, 2023
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8OZ8
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![BU of 8oz8 by Molmil](/molmil-images/mine/8oz8) | Crystal Structure of an Hydroxynitrile lyase variant (H96A) from Granulicella tundricola | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, BROMIDE ION, ... | Authors: | Bento, I, Coloma, J, Hagedoorn, P.-L, Hanefeld, U. | Deposit date: | 2023-05-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Can a Hydroxynitrile Lyase Catalyze an Oxidative Cleavage? Acs Catalysis, 13, 2023
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8BI8
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![BU of 8bi8 by Molmil](/molmil-images/mine/8bi8) | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase | Descriptor: | Nitric oxide synthase, brain | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction. J.Med.Chem., 66, 2023
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8BI9
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![BU of 8bi9 by Molmil](/molmil-images/mine/8bi9) | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase (T112W/T116E variant) | Descriptor: | Nitric oxide synthase, brain, TERTIARY-BUTYL ALCOHOL | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction. J.Med.Chem., 66, 2023
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7NWA
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![BU of 7nwa by Molmil](/molmil-images/mine/7nwa) | |
8CDQ
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![BU of 8cdq by Molmil](/molmil-images/mine/8cdq) | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S | Descriptor: | 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, GLYCEROL, ... | Authors: | Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Schaletzky, J, Wehri, E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2023-01-31 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design. Nat Commun, 14, 2023
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4TZP
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![BU of 4tzp by Molmil](/molmil-images/mine/4tzp) | As Grown, Untreated Co-crystals of the Ternary Complex Containing a T-box Stem I RNA, its cognate tRNAGly, and B. subtilis YbxF protein | Descriptor: | Ribosome-associated protein L7Ae-like, engineered tRNA, glyQ T-box Stem I | Authors: | Zhang, J, Ferre-D'Amare, A.R. | Deposit date: | 2014-07-10 | Release date: | 2014-09-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (8.503 Å) | Cite: | Dramatic Improvement of Crystals of Large RNAs by Cation Replacement and Dehydration. Structure, 22, 2014
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2XJG
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![BU of 2xjg by Molmil](/molmil-images/mine/2xjg) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, B, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-07-06 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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2XAB
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![BU of 2xab by Molmil](/molmil-images/mine/2xab) | Structure of HSP90 with an inhibitor bound | Descriptor: | 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, m, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brian, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-03-30 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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2XJJ
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![BU of 2xjj by Molmil](/molmil-images/mine/2xjj) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-07-06 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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2XJX
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![BU of 2xjx by Molmil](/molmil-images/mine/2xjx) | Structure of HSP90 with small molecule inhibitor bound | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib | Authors: | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | Deposit date: | 2010-07-06 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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3LGS
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![BU of 3lgs by Molmil](/molmil-images/mine/3lgs) | |
5N84
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![BU of 5n84 by Molmil](/molmil-images/mine/5n84) | TTK kinase domain in complex with Mps-BAY2b | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Dual specificity protein kinase TTK, SODIUM ION, ... | Authors: | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | Deposit date: | 2017-02-22 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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6YS5
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![BU of 6ys5 by Molmil](/molmil-images/mine/6ys5) | Acinetobacter baumannii ribosome-amikacin complex - 30S subunit head | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ... | Authors: | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | Deposit date: | 2020-04-21 | Release date: | 2020-09-16 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics. Structure, 28, 2020
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2GND
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![BU of 2gnd by Molmil](/molmil-images/mine/2gnd) | One hour EDTA treatment, P. angolensis lectin | Descriptor: | CALCIUM ION, MANGANESE (II) ION, alpha-D-mannopyranose, ... | Authors: | Garcia-Pino, A, Buts, L, Wyns, L, Loris, R. | Deposit date: | 2006-04-10 | Release date: | 2006-07-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Interplay Between Metal Binding and cis/trans Isomerization in Legume Lectins: Structural and Thermodynamic Study of P. angolensis Lectin. J.Mol.Biol., 361, 2006
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1DQS
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![BU of 1dqs by Molmil](/molmil-images/mine/1dqs) | CRYSTAL STRUCTURE OF DEHYDROQUINATE SYNTHASE (DHQS) COMPLEXED WITH CARBAPHOSPHONATE, NAD+ AND ZN2+ | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (3-DEHYDROQUINATE SYNTHASE), ... | Authors: | Carpenter, E.P, Hawkins, A.R, Frost, J.W, Brown, K.A. | Deposit date: | 1998-04-09 | Release date: | 1999-07-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of dehydroquinate synthase reveals an active site capable of multistep catalysis. Nature, 394, 1998
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8TDM
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![BU of 8tdm by Molmil](/molmil-images/mine/8tdm) | Cryo-EM structure of AtMSL10-K539E | Descriptor: | Mechanosensitive ion channel protein 10 | Authors: | Zhang, J, Yuan, P. | Deposit date: | 2023-07-03 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Open structure and gating of the Arabidopsis mechanosensitive ion channel MSL10. Nat Commun, 14, 2023
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8TDK
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![BU of 8tdk by Molmil](/molmil-images/mine/8tdk) | Cryo-EM structure of AtMSL10-G556V | Descriptor: | Mechanosensitive ion channel protein 10 | Authors: | Zhang, J, Yuan, P. | Deposit date: | 2023-07-03 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Open structure and gating of the Arabidopsis mechanosensitive ion channel MSL10. Nat Commun, 14, 2023
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1EKP
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![BU of 1ekp by Molmil](/molmil-images/mine/1ekp) | CRYSTAL STRUCTURE OF HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL) COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE AT 2.5 ANGSTROMS (MONOCLINIC FORM). | Descriptor: | BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL), PYRIDOXAL-5'-PHOSPHATE | Authors: | Yennawar, N.H, Dunbar, J.H, Conway, M, Hutson, S.M, Farber, G.K. | Deposit date: | 2000-03-09 | Release date: | 2001-03-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure of human mitochondrial branched-chain aminotransferase. Acta Crystallogr.,Sect.D, 57, 2001
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1EKV
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![BU of 1ekv by Molmil](/molmil-images/mine/1ekv) | HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL): THREE DIMENSIONAL STRUCTURE OF ENZYME INACTIVATED BY TRIS BOUND TO THE PYRIDOXAL-5'-PHOSPHATE ON ONE END AND ACTIVE SITE LYS202 NZ ON THE OTHER. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL), PYRIDOXAL-5'-PHOSPHATE | Authors: | Yennawar, N.H, Dunbar, J.H, Conway, M, Hutson, S.M, Farber, G.K. | Deposit date: | 2000-03-09 | Release date: | 2001-03-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The structure of human mitochondrial branched-chain aminotransferase. Acta Crystallogr.,Sect.D, 57, 2001
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1EKF
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![BU of 1ekf by Molmil](/molmil-images/mine/1ekf) | CRYSTALLOGRAPHIC STRUCTURE OF HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL) COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE AT 1.95 ANGSTROMS (ORTHORHOMBIC FORM) | Descriptor: | BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL), PYRIDOXAL-5'-PHOSPHATE | Authors: | Yennawar, N.H, Dunbar, J.H, Conway, M, Hutson, S.M, Farber, G.K. | Deposit date: | 2000-03-08 | Release date: | 2001-03-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The structure of human mitochondrial branched-chain aminotransferase. Acta Crystallogr.,Sect.D, 57, 2001
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1EVE
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![BU of 1eve by Molmil](/molmil-images/mine/1eve) | THREE DIMENSIONAL STRUCTURE OF THE ANTI-ALZHEIMER DRUG, E2020 (ARICEPT), COMPLEXED WITH ITS TARGET ACETYLCHOLINESTERASE | Descriptor: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kryger, G, Silman, I, Sussman, J.L. | Deposit date: | 1998-03-04 | Release date: | 1999-01-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of acetylcholinesterase complexed with E2020 (Aricept): implications for the design of new anti-Alzheimer drugs. Structure Fold.Des., 7, 1999
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