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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8D3X
 | | Human alpha3 Na+/K+-ATPase in its K+-occluded state | | Descriptor: | FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, Sodium/potassium-transporting ATPase subunit beta-1, ... | | Authors: | Nguyen, P.T, Bai, X. | | Deposit date: | 2022-06-01 | | Release date: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
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6EUE
 | | Rivastigmine analogue bound to Tc ACHE. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, PENTAETHYLENE GLYCOL | | Authors: | De la Mora, E, Brazzolotto, X, Dighe, S.N, Silman, I, Weik, M, Ross, B. | | Deposit date: | 2017-10-30 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model
Commun Chem, 2019
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6EWK
 | | T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime. | | Descriptor: | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I. | | Deposit date: | 2017-11-04 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration.
Chemistry, 24, 2018
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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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5TV4
 | | 3D cryo-EM reconstruction of nucleotide-free MsbA in lipid nanodisc | | Descriptor: | 3-HYDROXY-TETRADECANOIC ACID, L-glycero-alpha-D-manno-heptopyranose-(1-7)-L-glycero-alpha-D-manno-heptopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-5)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)]3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-alpha-D-glucopyranose-(1-6)-2-amino-2-deoxy-alpha-D-glucopyranose, LAURIC ACID, ... | | Authors: | Mi, W, Walz, T, Liao, M. | | Deposit date: | 2016-11-08 | | Release date: | 2017-09-20 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis of MsbA-mediated lipopolysaccharide transport.
Nature, 549, 2017
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3JAO
 | | Ciliary microtubule doublet | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | | Authors: | Maheshwari, A, Obbineni, J.M, Bui, K.H, Shibata, K, Toyoshima, Y.Y, Ishikawa, T. | | Deposit date: | 2015-06-18 | | Release date: | 2015-08-05 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (23 Å) | | Cite: | alpha- and beta-Tubulin Lattice of the Axonemal Microtubule Doublet and Binding Proteins Revealed by Single Particle Cryo-Electron Microscopy and Tomography.
Structure, 23, 2015
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3PPH
 | | Crystal structure of the Candida albicans methionine synthase by surface entropy reduction, threonine variant | | Descriptor: | 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase | | Authors: | Ubhi, D, Kavanagh, K, Monzingo, A.F, Robertus, J.D. | | Deposit date: | 2010-11-24 | | Release date: | 2011-10-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Candida albicans methionine synthase determined by employing surface residue mutagenesis.
Arch.Biochem.Biophys., 513, 2011
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3PPG
 | | Crystal structure of the Candida albicans methionine synthase by surface entropy reduction, alanine variant with zinc | | Descriptor: | 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, ZINC ION | | Authors: | Ubhi, D, Kavanagh, K, Monzingo, A.F, Robertus, J.D. | | Deposit date: | 2010-11-24 | | Release date: | 2011-10-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure of Candida albicans methionine synthase determined by employing surface residue mutagenesis.
Arch.Biochem.Biophys., 513, 2011
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3L7R
 | | crystal structure of MetE from streptococcus mutans | | Descriptor: | 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, SULFATE ION, ZINC ION | | Authors: | Fu, T.M, Liang, Y.H, Su, X.D. | | Deposit date: | 2009-12-29 | | Release date: | 2011-01-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Crystal Structures of Cobalamin-Independent Methionine Synthase (MetE) from Streptococcus mutans: A Dynamic Zinc-Inversion Model
J.Mol.Biol., 412, 2011
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7CC7
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4XF2
 | | Tetragonal structure of Arp2/3 complex | | Descriptor: | Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, Actin-related protein 2/3 complex subunit 2, ... | | Authors: | Jurgenson, C.T, Pollard, T.P. | | Deposit date: | 2014-12-25 | | Release date: | 2015-11-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (5 Å) | | Cite: | Crystals of the Arp2/3 complex in two new space groups with structural information about actin-related protein 2 and potential WASP binding sites.
Acta Crystallogr.,Sect.F, 71, 2015
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3T0C
 | | Crystal structure of Streptococcus mutans MetE complexed with Zinc | | Descriptor: | 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, SULFATE ION, ZINC ION | | Authors: | Fu, T.M, Liang, Y.H, Su, X.D. | | Deposit date: | 2011-07-19 | | Release date: | 2011-08-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.187 Å) | | Cite: | Crystal Structures of Cobalamin-Independent Methionine Synthase (MetE) from Streptococcus mutans: A Dynamic Zinc-Inversion Model
J.Mol.Biol., 412, 2011
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3BQ6
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7F4R
 | | Crystal structure of MTA1 | | Descriptor: | MT-a70 family protein | | Authors: | Chen, J, Liu, L. | | Deposit date: | 2021-06-21 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
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3AMM
 | | Cellotetraose complex of cellulase 12A from thermotoga maritima | | Descriptor: | Endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Cheng, Y.-S, Ko, T.-P, Liu, J.-R, Guo, R.-T. | | Deposit date: | 2010-08-20 | | Release date: | 2011-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Proteins, 79, 2011
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3AMP
 | | E134C-Cellotetraose complex of cellulase 12A from thermotoga maritima | | Descriptor: | Endo-1,4-beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Cheng, Y.-S, Ko, T.-P, Liu, J.-R, Guo, R.-T. | | Deposit date: | 2010-08-20 | | Release date: | 2011-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal structure and substrate-binding mode of cellulase 12A from Thermotoga maritima
Proteins, 79, 2011
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4L2H
 | | Structure of a catalytically inactive PARG in complex with a poly-ADP-ribose fragment | | Descriptor: | Poly(ADP-ribose) glycohydrolase, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Brassington, A, Dunstan, M.S, Leys, D. | | Deposit date: | 2013-06-04 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Visualization of poly(ADP-ribose) bound to PARG reveals inherent balance between exo- and endo-glycohydrolase activities.
Nat Commun, 4, 2013
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6P45
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3MRA
 | | M3 TRANSMEMBRANE SEGMENT OF ALPHA-SUBUNIT OF NICOTINIC ACETYLCHOLINE RECEPTOR FROM TORPEDO CALIFORNICA, NMR, 15 STRUCTURES | | Descriptor: | Acetylcholine receptor subunit alpha | | Authors: | Lugovskoy, A.A, Maslennikov, I.V, Utkin, Y.N, Tsetlin, V.I, Cohen, J.B, Arseniev, A.S. | | Deposit date: | 1997-07-15 | | Release date: | 1998-01-21 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Spatial structure of the M3 transmembrane segment of the nicotinic acetylcholine receptor alpha subunit.
Eur.J.Biochem., 255, 1998
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6PNK
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3T2J
 | | Tetragonal thermolysin in the presence of betaine | | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Cahn, J, Hti Lar Seng, N.S, Juers, D. | | Deposit date: | 2011-07-22 | | Release date: | 2011-12-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
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7B8I
 | | Tetragonal structure of human protein kinase CK2 catalytic subunit in complex with a heparin oligo saccharide | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Schnitzler, A. | | Deposit date: | 2020-12-12 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis for the design of bisubstrate inhibitors of protein kinase CK2 provided by complex structures with the substrate-competitive inhibitor heparin.
Eur.J.Med.Chem., 214, 2021
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3T2H
 | | Tetragonal thermolysin in the presence of TMAO | | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Cahn, J, Hti Lar Seng, N.S, Juers, D. | | Deposit date: | 2011-07-22 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
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3T2I
 | | Tetragonal thermolysin in the presence of sarcosine | | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Cahn, J, Hti Lar Seng, N.S, Juers, D. | | Deposit date: | 2011-07-22 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
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