2XNV
 
 | | Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors | | Descriptor: | 2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Rucktooa, P, Akdemir, A, deEsch, I, Sixma, T.K. | | Deposit date: | 2010-08-06 | | Release date: | 2011-08-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Acetylcholine Binding Protein (Achbp) as Template for Hierarchical in Silico Screening Procedures to Identify Structurally Novel Ligands for the Nicotinic Receptors.
Bioorg.Med.Chem., 19, 2011
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2BYR
 | | CRYSTAL STRUCTURE OF ACHBP FROM APLYSIA CALIFORNICA in complex with methyllycaconitine | | Descriptor: | ACETYLCHOLINE-BINDING PROTEIN, METHYLLYCACONITINE | | Authors: | Hansen, S.B, Sulzenbacher, G, Huxford, T, Marchot, P, Taylor, P, Bourne, Y. | | Deposit date: | 2005-08-03 | | Release date: | 2005-10-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structures of Aplysia Achbp Complexes with Nicotinic Agonists and Antagonists Reveal Distinctive Binding Interfaces and Conformations.
Embo J., 24, 2005
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5OAJ
 | | Crystal structure of mutant AChBP in complex with tropisetron (T53F, Q74R, Y110A, I135S, G162E) | | Descriptor: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | Deposit date: | 2017-06-22 | | Release date: | 2018-08-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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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: | 2024-11-06 | | 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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4EZ1
 | | Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with alpha-conotoxin BuIA | | Descriptor: | Alpha-conotoxin BuIA, MANGANESE (II) ION, Soluble acetylcholine receptor | | Authors: | Talley, T.T, Reger, A.S, Kim, C, Sankaran, B, Ho, K, Taylor, P, McIntosh, J.M. | | Deposit date: | 2012-05-02 | | Release date: | 2013-05-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Pairwise interaction of alpha-conotoxin BuIA Pro6 with the beta subunit of nicotinic acetylcholine receptor
To be Published
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6SH0
 | | Crystal structure of AcAChBP in complex with anatoxin | | Descriptor: | 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Hunter, W.N, Dawson, A, Parker, H. | | Deposit date: | 2019-08-05 | | Release date: | 2020-08-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Delineating the activity of the potent nicotinic acetylcholine receptor agonists (+)-anatoxin-a and (-)-hosieine-A
Acta Crystallogr.,Sect.F, 2022
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6QQO
 | | Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (3) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide, ... | | Authors: | Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N. | | Deposit date: | 2019-02-18 | | Release date: | 2020-03-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Acta Crystallogr.,Sect.D, 78, 2022
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7EGR
 | | Co-crystal structure of Ac-AChBPP in complex with RgIA | | Descriptor: | MAGNESIUM ION, RgIA, Soluble acetylcholine receptor | | Authors: | Wang, X.Q, Pan, S, Fan, Y.X, Xue, Y, Zhu, X.P, Luo, S.L. | | Deposit date: | 2021-03-26 | | Release date: | 2022-04-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Co-crystal structure of Ac-AChBPP in complex with RgIA
To Be Published
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2WZY
 | | Crystal structure of A-AChBP in complex with 13-desmethyl spirolide C | | Descriptor: | 13-DESMETHYL SPIROLIDE C, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Bourne, Y, Radic, Z, Araoz, R, Talley, T.T, Benoit, E, Servent, D, Taylor, P, Molgo, J, Marchot, P. | | Deposit date: | 2009-12-03 | | Release date: | 2010-03-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural Determinants in Phycotoxins and Achbp Conferring High Affinity Binding and Nicotinic Achr Antagonism.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2XNU
 | | Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors | | Descriptor: | 2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Rucktooa, P, Akdemir, A, deEsch, I, Sixma, T.K. | | Deposit date: | 2010-08-06 | | Release date: | 2011-08-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Acetylcholine Binding Protein (Achbp) as Template for Hierarchical in Silico Screening Procedures to Identify Structurally Novel Ligands for the Nicotinic Receptors.
Bioorg.Med.Chem., 19, 2011
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5KE4
 | | Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 6 nicotinic acetylcholine receptor in complex with 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)- N,N-dimethylethanamine (BPC) | | Descriptor: | 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-N,N-dimethylethanamine, Soluble acetylcholine receptor | | Authors: | Bobango, J, Wu, J, Talley, I.T, Ralston, R, Sankaran, B, Talley, T.T. | | Deposit date: | 2016-06-09 | | Release date: | 2016-07-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.554 Å) | | Cite: | Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 6 nicotinic acetylcholine receptor in complex with 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-
N,N-dimethylethanamine (BPC)
To Be Published
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2W8G
 | | Aplysia californica AChBP bound to in silico compound 35 | | Descriptor: | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | | Deposit date: | 2009-01-16 | | Release date: | 2009-04-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis.
J.Med.Chem., 52, 2009
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5OA0
 | | Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, W164F) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, STRYCHNINE, ... | | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | Deposit date: | 2017-06-20 | | Release date: | 2018-08-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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5OAN
 | | Crystal structure of mutant AChBP in complex with glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG) | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCINE, ... | | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | Deposit date: | 2017-06-23 | | Release date: | 2018-08-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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6SGV
 | | Crystal structure of AcAChBP in complex with hosieine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hosieine, ... | | Authors: | Hunter, W.N, Dawson, A, Parker, H. | | Deposit date: | 2019-08-05 | | Release date: | 2020-08-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Delineating the activity of the potent nicotinic acetylcholine receptor agonists (+)-anatoxin-a and (-)-hosieine-A
Acta Crystallogr.,Sect.F, 2022
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2W8F
 | | Aplysia californica AChBP bound to in silico compound 31 | | Descriptor: | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | | Deposit date: | 2009-01-16 | | Release date: | 2009-04-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis.
J.Med.Chem., 52, 2009
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2WNL
 | | CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH ANABASEINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4,5,6-tetrahydro-2,3'-bipyridine, 5-amino-1-pyridin-3-ylpentan-1-one, ... | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-09 | | Release date: | 2009-09-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
EMBO J., 28, 2009
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2XZ5
 | | MMTS-modified Y53C mutant of Aplysia AChBP in complex with acetylcholine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE, ... | | Authors: | Brams, M, Gay, E.A, Colon Saez, J, Guskov, A, van Elk, R, van der Schors, R.C, Peigneur, S, Tytgat, J, Strelkov, S.V, Smit, A.B, Yakel, J.L, Ulens, C. | | Deposit date: | 2010-11-23 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of a Cysteine-Modified Mutant in Loop D of Acetylcholine Binding Protein
J.Biol.Chem., 286, 2011
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6M4Z
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4BQT
 | | Aplysia californica AChBP in complex with Cytisine | | Descriptor: | (1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Rucktooa, P, Haseler, C.A, vanElke, R, Smit, A.B, Gallagher, T, Sixma, T.K. | | Deposit date: | 2013-06-02 | | Release date: | 2013-06-12 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Structural Characterization of Binding Mode of Smoking Cessation Drugs to Nicotinic Acetylcholine Receptors Through Study of Ligand Complexes with Acetylcholine-Binding Protein.
J.Biol.Chem., 287, 2012
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2PH9
 | | Galanthamine bound to an ACh-binding Protein | | Descriptor: | (-)-GALANTHAMINE, Soluble acetylcholine receptor, TETRAETHYLENE GLYCOL | | Authors: | Hansen, S.B, Taylor, P. | | Deposit date: | 2007-04-10 | | Release date: | 2007-07-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Galanthamine and non-competitive inhibitor binding to ACh-binding protein: evidence for a binding site on non-alpha-subunit interfaces of heteromeric neuronal nicotinic receptors.
J.Mol.Biol., 369, 2007
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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: | 2024-10-30 | | 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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6M4X
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2BR7
 | | Crystal Structure of Acetylcholine-binding Protein (AChBP) from Aplysia californica in complex with HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Celie, P.H.N, Kasheverov, I.E, Mordvintsev, D.Y, Hogg, R.C, Van Nierop, P, Van Elk, R, Van Rossum-Fikkert, S.E, Zhmak, M.N, Bertrand, D, Tsetlin, V, Sixma, T.K, Smit, A.B. | | Deposit date: | 2005-05-03 | | Release date: | 2005-06-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of Nicotinic Acetylcholine Receptor Homolog Achbp in Complex with an Alpha- Conotoxin Pnia Variant
Nat.Struct.Mol.Biol., 12, 2005
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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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