6O66
 
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6O4W
 | | Binary complex of native hAChE with Donepezil | | Descriptor: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ... | | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | | Deposit date: | 2019-03-01 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
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6O52
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6O5R
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6O50
 | | Binary complex of native hAChE with BW284c51 | | Descriptor: | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase, GLYCEROL, ... | | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | | Deposit date: | 2019-03-01 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.352 Å) | | Cite: | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
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6O4X
 | | Binary complex of native hAChE with 9-aminoacridine | | Descriptor: | 9-AMINOACRIDINE, Acetylcholinesterase, GLYCEROL, ... | | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | | Deposit date: | 2019-03-01 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
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6O5S
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3C84
 | | Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid thiacloprid | | Descriptor: | ISOPROPYL ALCOHOL, MAGNESIUM ION, Soluble acetylcholine receptor, ... | | Authors: | Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W. | | Deposit date: | 2008-02-08 | | Release date: | 2008-05-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3C79
 | | Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid | | Descriptor: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor | | Authors: | Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W. | | Deposit date: | 2008-02-06 | | Release date: | 2008-05-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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6U34
 | | Binary complex of native hAChE with oxime reactivator RS194B | | Descriptor: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | | Authors: | Kovalevsky, A, Gerlits, O, Radic, Z. | | Deposit date: | 2019-08-21 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
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6U37
 | | Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS194B | | Descriptor: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | | Authors: | Kovalevsky, A, Gerlits, O, Radic, Z. | | Deposit date: | 2019-08-21 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
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6U3P
 | | Binary complex of native hAChE with oxime reactivator LG-703 | | Descriptor: | (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide], Acetylcholinesterase, DIMETHYL SULFOXIDE | | Authors: | Kovalevsky, A, Gerlits, O, Radic, Z. | | Deposit date: | 2019-08-22 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
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3SH1
 | | Ac-AChBP ligand binding domain mutated to human alpha-7 nAChR | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nemecz, A, Taylor, P.W. | | Deposit date: | 2011-06-15 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Creating an alpha-7 nicotinic acetylcholine recognition domain from the
acetylcholine binding protein: crystallographic and ligand selectivity analyses
J.Biol.Chem., 286, 2011
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3SIO
 | | Ac-AChBP ligand binding domain (not including beta 9-10 linker) mutated to human alpha-7 nAChR | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nemecz, A, Taylor, P.W. | | Deposit date: | 2011-06-19 | | Release date: | 2011-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Creating an alpha-7 nicotinic acetylcholine recognition domain from the
acetylcholine binding protein: crystallographic and ligand selectivity analyses
J.Biol.Chem., 286, 2011
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2ACE
 | | NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA | | Descriptor: | ACETYLCHOLINE, ACETYLCHOLINESTERASE | | Authors: | Harel, M, Raves, M.L, Silman, I, Sussman, J.L. | | Deposit date: | 1996-06-23 | | Release date: | 1996-11-08 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A.
Nat.Struct.Biol., 4, 1997
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3T4M
 | | Ac-AChBP ligand binding domain mutated to human alpha-7 nAChR (intermediate) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nemecz, A, Taylor, P.W. | | Deposit date: | 2011-07-26 | | Release date: | 2011-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Creating an alpha-7 nicotinic acetylcholine recognition domain from the
acetylcholine binding protein: crystallographic and ligand selectivity analyses
J.Biol.Chem., 286, 2011
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2IGU
 | | Deamidated analogue of ImI Conotoxin | | Descriptor: | Alpha-conotoxin ImI | | Authors: | Kini, R.M, Kang, T.S. | | Deposit date: | 2006-09-25 | | Release date: | 2007-08-14 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
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2IH6
 | | Pro6 variant of CMrVIA conotoxin | | Descriptor: | Lambda-conotoxin CMrVIA | | Authors: | Kini, R.M, Kang, T.S. | | Deposit date: | 2006-09-26 | | Release date: | 2007-08-14 | | Last modified: | 2020-06-24 | | Method: | SOLUTION NMR | | Cite: | Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
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2IHA
 | | Amidated variant of CMrVIA conotoxin | | Descriptor: | Lambda-conotoxin CMrVIA | | Authors: | Kini, R.M, Kang, T.S. | | Deposit date: | 2006-09-26 | | Release date: | 2007-08-14 | | Last modified: | 2020-06-24 | | Method: | SOLUTION NMR | | Cite: | Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
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2IFI
 | | Ala6 Variant of ImI Conotoxin | | Descriptor: | Alpha-conotoxin ImI | | Authors: | Kini, R.M, Kang, T.S. | | Deposit date: | 2006-09-21 | | Release date: | 2007-08-14 | | Last modified: | 2020-06-24 | | Method: | SOLUTION NMR | | Cite: | Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
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2IFZ
 | | Lys6 Variant of ImI Conotoxin | | Descriptor: | Alpha-conotoxin ImI | | Authors: | Kini, R.M, Kang, T.S. | | Deposit date: | 2006-09-22 | | Release date: | 2007-08-14 | | Last modified: | 2020-06-24 | | Method: | SOLUTION NMR | | Cite: | Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
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2IH7
 | | Amidated Pro6 Analogue of CMrVIA conotoxin | | Descriptor: | Lambda-conotoxin CMrVIA | | Authors: | Kini, R.M, Kang, T.S. | | Deposit date: | 2006-09-26 | | Release date: | 2007-08-14 | | Last modified: | 2020-06-24 | | Method: | SOLUTION NMR | | Cite: | Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
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2IFJ
 | | Lys6 deamidated variant of ImI conotoxin | | Descriptor: | Alpha-conotoxin ImI | | Authors: | Kini, R.M, Kang, T.S. | | Deposit date: | 2006-09-21 | | Release date: | 2007-08-14 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
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4NUN
 | | Crystal structure of copper-bound Na-ASP-2 | | Descriptor: | Ancylostoma secreted protein 2, COPPER (II) ION | | Authors: | Hofmann, A. | | Deposit date: | 2013-12-03 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50, 2014
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4NUO
 | | Crystal structure of zinc-bound Na-ASP-2 | | Descriptor: | Ancylostoma secreted protein 2, ZINC ION | | Authors: | Hofmann, A. | | Deposit date: | 2013-12-03 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50, 2014
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