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2XNV
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BU of 2xnv by Molmil
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:2023-12-20
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
2XNU
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BU of 2xnu by Molmil
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:2023-12-20
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
2XNT
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BU of 2xnt by Molmil
Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors
Descriptor: (2S)-2-[(4-CHLOROBENZYL)OXY]-2-PHENYLETHANAMINE, BROMIDE ION, 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:2023-12-20
Method:X-RAY DIFFRACTION (3.21 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
2W8G
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BU of 2w8g by Molmil
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:2023-12-13
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
2W8F
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BU of 2w8f by Molmil
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:2024-02-14
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
2Y7Y
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BU of 2y7y by Molmil
APLYSIA CALIFORNICA ACHBP IN APO STATE
Descriptor: SOLUBLE ACETYLCHOLINE RECEPTOR
Authors:Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, De Esch, I.J.
Deposit date:2011-02-02
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.895 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
2Y56
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BU of 2y56 by Molmil
Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 3)
Descriptor: CHLORIDE ION, GLYCEROL, SOLUBLE ACETYLCHOLINE RECEPTOR, ...
Authors:Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K.
Deposit date:2011-01-12
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis.
J.Am.Chem.Soc., 133, 2011
2Y58
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BU of 2y58 by Molmil
Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 6)
Descriptor: CHLORIDE ION, SOLUBLE ACETYLCHOLINE RECEPTOR, SULFATE ION, ...
Authors:Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K.
Deposit date:2011-01-12
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis.
J.Am.Chem.Soc., 133, 2011
2Y54
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BU of 2y54 by Molmil
Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Fragment 1)
Descriptor: CHLORIDE ION, SOLUBLE ACETYLCHOLINE RECEPTOR, SULFATE ION, ...
Authors:Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K.
Deposit date:2011-01-12
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis.
J.Am.Chem.Soc., 133, 2011
2Y57
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BU of 2y57 by Molmil
Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 4)
Descriptor: CHLORIDE ION, SOLUBLE ACETYLCHOLINE RECEPTOR, SULFATE ION, ...
Authors:Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K.
Deposit date:2011-01-12
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis.
J.Am.Chem.Soc., 133, 2011

217705

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