4alx

Crystal Structure of Ls-AChBP complexed with the potent nAChR antagonist DHbE

Method: X-RAY DIFFRACTION D_max: 131.8 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

ACETYLCHOLINE BINDING PROTEIN

LYMNAEA STAGNALIS

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein homooligomer Homooligomer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain F； UniProt 1–229 Chain G； UniProt 1–229 Chain H； UniProt 1–229 Chain I； UniProt 1–229 Chain J； UniProt 1–229	Not recorded	IZN (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one × 5 1PE PENTAETHYLENE GLYCOL × 4 MG MAGNESIUM ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.5；0.1 M HEPES PH 7.5, 25% V/V PEG 400, AND 0.2 M MGCL2.	Resolution 2.30 Å R-free 0.250
2	Protein homooligomer Homooligomer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain A； UniProt 1–229 Chain B； UniProt 1–229 Chain C； UniProt 1–229 Chain D； UniProt 1–229 Chain E； UniProt 1–229	Not recorded	IZN (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one × 5 1PE PENTAETHYLENE GLYCOL × 2 MG MAGNESIUM ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.5；0.1 M HEPES PH 7.5, 25% V/V PEG 400, AND 0.2 M MGCL2.	Resolution 2.30 Å R-free 0.250

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 4ALX	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1I9B X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) Deposited 2001-03-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 21–229（209 aa） Chain B 21–229（209 aa） Chain C 21–229（209 aa） Chain D 21–229（209 aa） Chain E 21–229（209 aa）	Mutation：L1F Mutation：L1F Mutation：L1F Mutation：L1F Mutation：L1F	CA CALCIUM ION × 8 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, CALCIUM CHLORIDE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K	Resolution 2.70 Å R-free 0.297
1I9B X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) Deposited 2001-03-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric	Chain A 21–229（209 aa） Chain B 21–229（209 aa） Chain C 21–229（209 aa） Chain D 21–229（209 aa） Chain E 21–229（209 aa）	Mutation：L1F Mutation：L1F Mutation：L1F Mutation：L1F Mutation：L1F	CA CALCIUM ION × 16 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, CALCIUM CHLORIDE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K	Resolution 2.70 Å R-free 0.297
1UV6 X-ray structure of acetylcholine binding protein (AChBP) in complex with carbamylcholine Deposited 2004-01-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	CCE 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；CAPS PH 10.5, AMMONIUM SULFATE	Resolution 2.50 Å R-free 0.265
1UV6 X-ray structure of acetylcholine binding protein (AChBP) in complex with carbamylcholine Deposited 2004-01-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	CCE 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；CAPS PH 10.5, AMMONIUM SULFATE	Resolution 2.50 Å R-free 0.265
1UW6 X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine Deposited 2004-01-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 19–229（211 aa） Chain B 19–229（211 aa） Chain C 19–229（211 aa） Chain D 19–229（211 aa） Chain E 19–229（211 aa）	Not recorded	NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；TRIS PH 8.0, AMMONIUM SULFATE	Resolution 2.20 Å R-free 0.265
1UW6 X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine Deposited 2004-01-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 19–229（211 aa） Chain G 19–229（211 aa） Chain H 19–229（211 aa） Chain I 19–229（211 aa） Chain J 19–229（211 aa）	Not recorded	NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；TRIS PH 8.0, AMMONIUM SULFATE	Resolution 2.20 Å R-free 0.265
1UW6 X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine Deposited 2004-01-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain K 19–229（211 aa） Chain L 19–229（211 aa） Chain M 19–229（211 aa） Chain N 19–229（211 aa） Chain O 19–229（211 aa）	Not recorded	NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；TRIS PH 8.0, AMMONIUM SULFATE	Resolution 2.20 Å R-free 0.265
1UW6 X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine Deposited 2004-01-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain P 19–229（211 aa） Chain Q 19–229（211 aa） Chain R 19–229（211 aa） Chain S 19–229（211 aa） Chain T 19–229（211 aa）	Not recorded	NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；TRIS PH 8.0, AMMONIUM SULFATE	Resolution 2.20 Å R-free 0.265
1UX2 X-ray structure of acetylcholine binding protein (AChBP) Deposited 2004-02-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 18–229（212 aa） Chain B 18–229（212 aa） Chain C 18–229（212 aa） Chain D 18–229（212 aa） Chain E 18–229（212 aa）	Not recorded	EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 SO4 SULFATE ION × 1 NH4 AMMONIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；TRIS PH 8.0, AMMONIUM SULFATE	Resolution 2.20 Å R-free 0.284
1UX2 X-ray structure of acetylcholine binding protein (AChBP) Deposited 2004-02-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 18–229（212 aa） Chain G 18–229（212 aa） Chain H 18–229（212 aa） Chain I 18–229（212 aa） Chain J 18–229（212 aa）	Not recorded	EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 SO4 SULFATE ION × 1 NH4 AMMONIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；TRIS PH 8.0, AMMONIUM SULFATE	Resolution 2.20 Å R-free 0.284
1YI5 Crystal structure of the a-cobratoxin-AChBP complex Deposited 2005-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.9M NA-CITRATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 4.20 Å R-free 0.378
2ZJU Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Imidacloprid Deposited 2008-03-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 16–229（214 aa） Fragment：UNP residues 16-229 Chain B 16–229（214 aa） Fragment：UNP residues 16-229 Chain C 16–229（214 aa） Fragment：UNP residues 16-229 Chain D 16–229（214 aa） Fragment：UNP residues 16-229 Chain E 16–229（214 aa） Fragment：UNP residues 16-229	Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D	IM4 (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.2M Na citrate, pH5.7, 15-22% PEG3350, 0.5mM imidacloprid, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.58 Å R-free 0.277
2ZJV Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Clothianidin Deposited 2008-03-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 16–229（214 aa） Fragment：UNP residues 16-229 Chain B 16–229（214 aa） Fragment：UNP residues 16-229 Chain C 16–229（214 aa） Fragment：UNP residues 16-229 Chain D 16–229（214 aa） Fragment：UNP residues 16-229 Chain E 16–229（214 aa） Fragment：UNP residues 16-229	Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D	CT4 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.2M Na citrate, pH5.7, 15-22% PEG3350, 0.5mM clothianidin, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.70 Å R-free 0.270
3U8J Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3531 (1-(pyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	09O 1-(pyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, 1% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.35 Å R-free 0.258
3U8J Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3531 (1-(pyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	09O 1-(pyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, 1% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.35 Å R-free 0.258
3U8K Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.47 Å R-free 0.236
3U8K Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.47 Å R-free 0.236
3U8K Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain K 20–229（210 aa） Chain L 20–229（210 aa） Chain M 20–229（210 aa） Chain N 20–229（210 aa） Chain O 20–229（210 aa）	Not recorded	09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.47 Å R-free 0.236
3U8K Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain P 20–229（210 aa） Chain Q 20–229（210 aa） Chain R 20–229（210 aa） Chain S 20–229（210 aa） Chain T 20–229（210 aa）	Not recorded	09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.47 Å R-free 0.236
3U8L Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3570 (1-(5-phenylpyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	09Q 1-(5-phenylpyridin-3-yl)-1,4-diazepane × 7 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；50mM Tris, 1.5M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.32 Å R-free 0.244
3U8L Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3570 (1-(5-phenylpyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	09Q 1-(5-phenylpyridin-3-yl)-1,4-diazepane × 7 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；50mM Tris, 1.5M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.32 Å R-free 0.244
3U8M Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.70 Å R-free 0.275
3U8M Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.70 Å R-free 0.275
3U8M Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain K 20–229（210 aa） Chain L 20–229（210 aa） Chain M 20–229（210 aa） Chain N 20–229（210 aa） Chain O 20–229（210 aa）	Not recorded	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.70 Å R-free 0.275
3U8M Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain P 20–229（210 aa） Chain Q 20–229（210 aa） Chain R 20–229（210 aa） Chain S 20–229（210 aa） Chain T 20–229（210 aa）	Not recorded	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.70 Å R-free 0.275
3U8N Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9 M Ammonium sulfate, 3% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.35 Å R-free 0.230
3U8N Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9 M Ammonium sulfate, 3% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.35 Å R-free 0.230
3U8N Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain K 20–229（210 aa） Chain L 20–229（210 aa） Chain M 20–229（210 aa） Chain N 20–229（210 aa） Chain O 20–229（210 aa）	Not recorded	09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9 M Ammonium sulfate, 3% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.35 Å R-free 0.230
3U8N Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain P 20–229（210 aa） Chain Q 20–229（210 aa） Chain R 20–229（210 aa） Chain S 20–229（210 aa） Chain T 20–229（210 aa）	Not recorded	09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9 M Ammonium sulfate, 3% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.35 Å R-free 0.230
3WIP Crystal structure of acetylcholine bound to Ls-AChBP Deposited 2013-09-24	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 1–229（229 aa） Chain B 1–229（229 aa） Chain C 1–229（229 aa） Chain D 1–229（229 aa） Chain E 1–229（229 aa）	Not recorded	ACH ACETYLCHOLINE × 5 1PE PENTAETHYLENE GLYCOL × 8 SO4 SULFATE ION × 4 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M TRIS, 1.025M (NH4)2SO4, 0.1M NaCl, 1.5% PEG 400, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.60 Å R-free 0.239
3WIP Crystal structure of acetylcholine bound to Ls-AChBP Deposited 2013-09-24	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 1–229（229 aa） Chain G 1–229（229 aa） Chain H 1–229（229 aa） Chain I 1–229（229 aa） Chain J 1–229（229 aa）	Not recorded	ACH ACETYLCHOLINE × 5 1PE PENTAETHYLENE GLYCOL × 4 SO4 SULFATE ION × 3 ACT ACETATE ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M TRIS, 1.025M (NH4)2SO4, 0.1M NaCl, 1.5% PEG 400, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.60 Å R-free 0.239
3WTH Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 21–229（209 aa） Fragment：UNP residues 21-229 Chain B 21–229（209 aa） Fragment：UNP residues 21-229 Chain C 21–229（209 aa） Fragment：UNP residues 21-229 Chain D 21–229（209 aa） Fragment：UNP residues 21-229 Chain E 21–229（209 aa） Fragment：UNP residues 21-229	Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R	IM4 (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.54 Å R-free 0.271
3WTI Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Clothianidin Deposited 2014-04-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 21–229（209 aa） Fragment：UNP residues 21-229 Chain B 21–229（209 aa） Fragment：UNP residues 21-229 Chain C 21–229（209 aa） Fragment：UNP residues 21-229 Chain D 21–229（209 aa） Fragment：UNP residues 21-229 Chain E 21–229（209 aa） Fragment：UNP residues 21-229	Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R	CT4 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM clothianidin, VAPOR DIFFUSION, temperature 293K	Resolution 2.68 Å R-free 0.294
3WTJ Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Thiacloprid Deposited 2014-04-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 21–229（209 aa） Chain B 21–229（209 aa） Chain C 21–229（209 aa） Chain D 21–229（209 aa） Chain E 21–229（209 aa）	Not recorded	TH4 {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM thiacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.24 Å R-free 0.266
3WTK Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Thiacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 21–229（209 aa） Fragment：UNP residues 21-229 Chain B 21–229（209 aa） Fragment：UNP residues 21-229 Chain C 21–229（209 aa） Fragment：UNP residues 21-229 Chain D 21–229（209 aa） Fragment：UNP residues 21-229 Chain E 21–229（209 aa） Fragment：UNP residues 21-229	Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R	TH4 {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM thiacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.69 Å R-free 0.274
3WTL Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Nitromethylene Analogue of Imidacloprid Deposited 2014-04-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 21–229（209 aa） Fragment：UNP residues 21-229 Chain B 21–229（209 aa） Fragment：UNP residues 21-229 Chain C 21–229（209 aa） Fragment：UNP residues 21-229 Chain D 21–229（209 aa） Fragment：UNP residues 21-229 Chain E 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N1Y 2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM Nitromethylene Analogue of Imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.30 Å R-free 0.265
3WTM Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Nitromethylene Analogue of Imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 21–229（209 aa） Fragment：UNP residues 21-229 Chain B 21–229（209 aa） Fragment：UNP residues 21-229 Chain C 21–229（209 aa） Fragment：UNP residues 21-229 Chain D 21–229（209 aa） Fragment：UNP residues 21-229 Chain E 21–229（209 aa） Fragment：UNP residues 21-229	Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R	N1Y 2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM Nitromethylene Analogue of Imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.48 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 21–229（209 aa） Fragment：UNP residues 21-229 Chain B 21–229（209 aa） Fragment：UNP residues 21-229 Chain C 21–229（209 aa） Fragment：UNP residues 21-229 Chain D 21–229（209 aa） Fragment：UNP residues 21-229 Chain E 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 5 CD CADMIUM ION × 35 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain H 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain I 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain J 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 21–229（209 aa） Fragment：UNP residues 21-229 Chain G 21–229（209 aa） Fragment：UNP residues 21-229 Chain H 21–229（209 aa） Fragment：UNP residues 21-229 Chain I 21–229（209 aa） Fragment：UNP residues 21-229 Chain J 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 5 CD CADMIUM ION × 19	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 7 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 7 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 7	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain F 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain G 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.09 Å R-free 0.262
3WTO Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Desnitro-imidacloprid Deposited 2014-04-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 21–229（209 aa） Fragment：UNP residues 21-229 Chain B 21–229（209 aa） Fragment：UNP residues 21-229 Chain C 21–229（209 aa） Fragment：UNP residues 21-229 Chain D 21–229（209 aa） Fragment：UNP residues 21-229 Chain E 21–229（209 aa） Fragment：UNP residues 21-229	Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R	N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；24-27 % PEG4000, 0.1-0.3M LiSO4, 0.1M Tris-HCl, pH 8.5, 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K	Resolution 2.25 Å R-free 0.262
3ZDG Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) Deposited 2012-11-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain K 20–229（210 aa） Chain L 20–229（210 aa） Chain M 20–229（210 aa） Chain N 20–229（210 aa） Chain O 20–229（210 aa）	Not recorded	XRX 3-(dimethylamino)butyl dimethylcarbamate × 5 SO4 SULFATE ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；0.1 M TRIS (AT PH 8.5 ), 2.0 M AMMONIUM SULPHATE	Resolution 2.48 Å R-free 0.221
3ZDG Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) Deposited 2012-11-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	XRX 3-(dimethylamino)butyl dimethylcarbamate × 5 SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；0.1 M TRIS (AT PH 8.5 ), 2.0 M AMMONIUM SULPHATE	Resolution 2.48 Å R-free 0.221
3ZDG Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) Deposited 2012-11-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	XRX 3-(dimethylamino)butyl dimethylcarbamate × 5 SO4 SULFATE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；0.1 M TRIS (AT PH 8.5 ), 2.0 M AMMONIUM SULPHATE	Resolution 2.48 Å R-free 0.221
3ZDG Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) Deposited 2012-11-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain P 20–229（210 aa） Chain Q 20–229（210 aa） Chain R 20–229（210 aa） Chain S 20–229（210 aa） Chain T 20–229（210 aa）	Not recorded	XRX 3-(dimethylamino)butyl dimethylcarbamate × 5 SO4 SULFATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 1PE PENTAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；0.1 M TRIS (AT PH 8.5 ), 2.0 M AMMONIUM SULPHATE	Resolution 2.48 Å R-free 0.221
3ZDH Crystal structure of Ls-AChBP complexed with carbamoylcholine analogue N,N-dimethyl-4-(1-methyl-1H-imidazol-2-yloxy)butan-2-amine Deposited 2012-11-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	XRS (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine × 5 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；0.1 M TRIS (PH 8.5), 2.0 M AMMONIUM SULPHATE, 2 % PEG 400	Resolution 2.19 Å R-free 0.245
3ZDH Crystal structure of Ls-AChBP complexed with carbamoylcholine analogue N,N-dimethyl-4-(1-methyl-1H-imidazol-2-yloxy)butan-2-amine Deposited 2012-11-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	XRS (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.5；0.1 M TRIS (PH 8.5), 2.0 M AMMONIUM SULPHATE, 2 % PEG 400	Resolution 2.19 Å R-free 0.245
4NZB NS9283 bound to Ls-AChBP Deposited 2013-12-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	1PE PENTAETHYLENE GLYCOL × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 7 ACT ACETATE ION × 8 NSE 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1mM Tris, 0.95M (NH3)2SO4, 4% PEG 400, 0.1M NaCl, 2.5% DMSO, pH 8.0, vapor diffusion, sitting drop, temperature 293K	Resolution 2.68 Å R-free 0.240
4NZB NS9283 bound to Ls-AChBP Deposited 2013-12-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	1PE PENTAETHYLENE GLYCOL × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 12 ACT ACETATE ION × 3 NSE 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile × 3 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1mM Tris, 0.95M (NH3)2SO4, 4% PEG 400, 0.1M NaCl, 2.5% DMSO, pH 8.0, vapor diffusion, sitting drop, temperature 293K	Resolution 2.68 Å R-free 0.240
4NZB NS9283 bound to Ls-AChBP Deposited 2013-12-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain K 20–229（210 aa） Chain L 20–229（210 aa） Chain M 20–229（210 aa） Chain N 20–229（210 aa） Chain O 20–229（210 aa）	Not recorded	SO4 SULFATE ION × 1 ACT ACETATE ION × 1 NSE 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile × 2 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1mM Tris, 0.95M (NH3)2SO4, 4% PEG 400, 0.1M NaCl, 2.5% DMSO, pH 8.0, vapor diffusion, sitting drop, temperature 293K	Resolution 2.68 Å R-free 0.240
4QAA X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(4-Methoxyphenyl)-N4-octylpyrimidine-2,4-diamine Deposited 2014-05-03	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–228（209 aa） Chain B 20–228（209 aa） Chain C 20–228（209 aa） Chain D 20–228（209 aa） Chain E 20–228（209 aa）	Not recorded	KK1 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 2.70 Å R-free 0.262
4QAA X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(4-Methoxyphenyl)-N4-octylpyrimidine-2,4-diamine Deposited 2014-05-03	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–228（209 aa） Chain G 20–228（209 aa） Chain H 20–228（209 aa） Chain I 20–228（209 aa） Chain J 20–228（209 aa）	Not recorded	KK1 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 7	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 2.70 Å R-free 0.262
4QAB X-RAY STRUCTURE of ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE Deposited 2014-05-03	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–228（209 aa） Chain B 20–228（209 aa） Chain C 20–228（209 aa） Chain D 20–228（209 aa） Chain E 20–228（209 aa）	Not recorded	KK2 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 2.98 Å R-free 0.233
4QAB X-RAY STRUCTURE of ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE Deposited 2014-05-03	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–228（209 aa） Chain G 20–228（209 aa） Chain H 20–228（209 aa） Chain I 20–228（209 aa） Chain J 20–228（209 aa）	Not recorded	KK2 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PO4 PHOSPHATE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 2.98 Å R-free 0.233
4QAC X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine Deposited 2014-05-03	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–228（209 aa） Chain B 20–228（209 aa） Chain C 20–228（209 aa） Chain D 20–228（209 aa） Chain E 20–228（209 aa）	Not recorded	PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 KK3 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 2.10 Å R-free 0.247
4QAC X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine Deposited 2014-05-03	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–228（209 aa） Chain G 20–228（209 aa） Chain H 20–228（209 aa） Chain I 20–228（209 aa） Chain J 20–228（209 aa）	Not recorded	PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 KK3 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 2.10 Å R-free 0.247
4UM1 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573 Deposited 2014-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 1–229（229 aa） Chain B 1–229（229 aa） Chain C 1–229（229 aa） Chain D 1–229（229 aa） Chain E 1–229（229 aa）	Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES	09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	Resolution 2.83 Å R-free 0.231
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain P 1–229（229 aa） Chain Q 1–229（229 aa） Chain R 1–229（229 aa） Chain S 1–229（229 aa） Chain T 1–229（229 aa）	Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain U 1–229（229 aa） Chain V 1–229（229 aa） Chain W 1–229（229 aa） Chain X 1–229（229 aa） Chain Y 1–229（229 aa）	Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain K 1–229（229 aa） Chain L 1–229（229 aa） Chain M 1–229（229 aa） Chain N 1–229（229 aa） Chain O 1–229（229 aa）	Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain j 1–229（229 aa） Chain k 1–229（229 aa） Chain l 1–229（229 aa） Chain m 1–229（229 aa） Chain n 1–229（229 aa）	Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain e 1–229（229 aa） Chain f 1–229（229 aa） Chain g 1–229（229 aa） Chain h 1–229（229 aa） Chain i 1–229（229 aa）	Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain Z 1–229（229 aa） Chain a 1–229（229 aa） Chain b 1–229（229 aa） Chain c 1–229（229 aa） Chain d 1–229（229 aa）	Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 7 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 1–229（229 aa） Chain B 1–229（229 aa） Chain C 1–229（229 aa） Chain D 1–229（229 aa） Chain E 1–229（229 aa）	Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 1–229（229 aa） Chain G 1–229（229 aa） Chain H 1–229（229 aa） Chain I 1–229（229 aa） Chain J 1–229（229 aa）	Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES	09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4	Resolution 2.70 Å R-free 0.244
4ZJT X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (LsAChBP) in complex with 2-Thiophenylmethylene Anabaseine (2TAB) Deposited 2015-04-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Fragment：UNP residues 20-229 Chain B 20–229（210 aa） Fragment：UNP residues 20-229 Chain C 20–229（210 aa） Fragment：UNP residues 20-229 Chain D 20–229（210 aa） Fragment：UNP residues 20-229 Chain E 20–229（210 aa） Fragment：UNP residues 20-229	Not recorded	PO4 PHOSPHATE ION × 5 4P6 (3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	Resolution 1.85 Å R-free 0.225
4ZJT X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (LsAChBP) in complex with 2-Thiophenylmethylene Anabaseine (2TAB) Deposited 2015-04-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Fragment：UNP residues 20-229 Chain G 20–229（210 aa） Fragment：UNP residues 20-229 Chain H 20–229（210 aa） Fragment：UNP residues 20-229 Chain I 20–229（210 aa） Fragment：UNP residues 20-229 Chain J 20–229（210 aa） Fragment：UNP residues 20-229	Not recorded	PO4 PHOSPHATE ION × 5 4P6 (3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	Resolution 1.85 Å R-free 0.225
4ZK1 Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein (LsAChBP) in Complex with 3-Pyrrolylmethylene Anabaseine Deposited 2015-04-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Fragment：UNP residues 20-229 Chain B 20–229（210 aa） Fragment：UNP residues 20-229 Chain C 20–229（210 aa） Fragment：UNP residues 20-229 Chain D 20–229（210 aa） Fragment：UNP residues 20-229 Chain E 20–229（210 aa） Fragment：UNP residues 20-229	Not recorded	PO4 PHOSPHATE ION × 5 4P7 (3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	Resolution 1.75 Å R-free 0.216
4ZK1 Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein (LsAChBP) in Complex with 3-Pyrrolylmethylene Anabaseine Deposited 2015-04-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Fragment：UNP residues 20-229 Chain G 20–229（210 aa） Fragment：UNP residues 20-229 Chain H 20–229（210 aa） Fragment：UNP residues 20-229 Chain I 20–229（210 aa） Fragment：UNP residues 20-229 Chain J 20–229（210 aa） Fragment：UNP residues 20-229	Not recorded	PO4 PHOSPHATE ION × 5 4P7 (3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	Resolution 1.75 Å R-free 0.216
4ZR6 Lymnaea Stagnalis Acetylcholine Binding Protein in Complex with 3-[(4E)-4-[(3-methylimidazol-4-yl)methylene]-2,3-dihydropyrrol-5-yl]pyridine Deposited 2015-05-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Fragment：UNP residues 20-229 Chain B 20–229（210 aa） Fragment：UNP residues 20-229 Chain C 20–229（210 aa） Fragment：UNP residues 20-229 Chain D 20–229（210 aa） Fragment：UNP residues 20-229 Chain E 20–229（210 aa） Fragment：UNP residues 20-229	Not recorded	4QW 3-{(4E)-4-[(1-methyl-1H-imidazol-5-yl)methylidene]-3,4-dihydro-2H-pyrrol-5-yl}pyridine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；291.15 K；0.02 M calcium chloride dihydrate, 0.1 M sodium acetate trihydrate, pH 4.6, 30% v/v MPD	Resolution 2.60 Å R-free 0.266
4ZRU X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 3-[2-[(2S)-pyrrolidin-2-yl]ethynyl]pyridine (TI-5180) Deposited 2015-05-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Fragment：UNP residues 20-229 Chain B 20–229（210 aa） Fragment：UNP residues 20-229 Chain C 20–229（210 aa） Fragment：UNP residues 20-229 Chain D 20–229（210 aa） Fragment：UNP residues 20-229 Chain E 20–229（210 aa） Fragment：UNP residues 20-229	Not recorded	PO4 PHOSPHATE ION × 5 TI9 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	Resolution 1.90 Å R-free 0.204
4ZRU X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 3-[2-[(2S)-pyrrolidin-2-yl]ethynyl]pyridine (TI-5180) Deposited 2015-05-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Fragment：UNP residues 20-229 Chain G 20–229（210 aa） Fragment：UNP residues 20-229 Chain H 20–229（210 aa） Fragment：UNP residues 20-229 Chain I 20–229（210 aa） Fragment：UNP residues 20-229 Chain J 20–229（210 aa） Fragment：UNP residues 20-229	Not recorded	PO4 PHOSPHATE ION × 5 TI9 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	Resolution 1.90 Å R-free 0.204
5BP0 X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 5-Fluoronicotine (TI-4650) Deposited 2015-05-27	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	PO4 PHOSPHATE ION × 5 FN1 5-fluoronicotine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	Resolution 2.40 Å R-free 0.248
5BP0 X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 5-Fluoronicotine (TI-4650) Deposited 2015-05-27	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	PO4 PHOSPHATE ION × 5 FN1 5-fluoronicotine × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol	Resolution 2.40 Å R-free 0.248
5J5F X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with N4,N4-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine Deposited 2016-04-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	PO4 PHOSPHATE ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GH N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	Resolution 2.04 Å R-free 0.202
5J5F X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with N4,N4-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine Deposited 2016-04-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GH N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine × 5 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	Resolution 2.04 Å R-free 0.202
5J5G X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine Deposited 2016-04-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GF 6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	Resolution 2.04 Å R-free 0.209
5J5G X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine Deposited 2016-04-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GF 6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	Resolution 2.04 Å R-free 0.209
5J5H X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(2-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine Deposited 2016-04-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	6GK 6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	Resolution 2.70 Å R-free 0.297
5J5H X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(2-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine Deposited 2016-04-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	6GK 6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	Resolution 2.70 Å R-free 0.297
5J5I X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol Deposited 2016-04-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GM 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol × 5 PO4 PHOSPHATE ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	Resolution 2.33 Å R-free 0.250
5J5I X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol Deposited 2016-04-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–229（210 aa） Chain G 20–229（210 aa） Chain H 20–229（210 aa） Chain I 20–229（210 aa） Chain J 20–229（210 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GM 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol × 5 PO4 PHOSPHATE ION × 11	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol	Resolution 2.33 Å R-free 0.250
5T90 Structural mechanisms for alpha-conotoxin selectivity at the human alpha3beta4 nicotinic acetylcholine receptor Deposited 2016-09-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.3；293 K；0.871 M ammonium sulphate, 7.55% PEG 3350, 2-propanol 7.45% and ammonium acetate 0.1 M pH 4.3	Resolution 2.80 Å R-free 0.245
5Y2Q X-ray structure of acetylcholine binding protein (AChBP) complexed with a small molecule Deposited 2017-07-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 21–229（209 aa） Fragment：UNP residues 21-229 Chain B 21–229（209 aa） Fragment：UNP residues 21-229 Chain C 21–229（209 aa） Fragment：UNP residues 21-229 Chain D 21–229（209 aa） Fragment：UNP residues 21-229 Chain E 21–229（209 aa） Fragment：UNP residues 21-229	Not recorded	8L3 3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；TRIS PH 8.0, AMMONIUM SULFATE	Resolution 2.36 Å R-free 0.277
7DJI Crystal structure of Lymnaea stagnalis Acetylcholine binding protein (AChBP) complexed with Paraherquamide A Deposited 2020-11-20	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 21–229（209 aa） Chain B 21–229（209 aa） Chain C 21–229（209 aa） Chain D 21–229（209 aa） Chain E 21–229（209 aa）	Not recorded	H8U Paraherquamide A × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；14.1-15.6% PEG 4000, Sodium Citrate buffer pH 5.0	Resolution 2.20 Å R-free 0.231
7N0W Rigidity of loop 1 contributes to equipotency of globular and ribbon isomers of alpha-conotoxin AusIA Deposited 2021-05-26	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 20–224（205 aa） Chain B 20–224（205 aa） Chain C 20–224（205 aa） Chain D 20–224（205 aa） Chain E 20–224（205 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296.15 K；0.1 M calcium acetate hydrate, 12% PEG400, 0.1M MES pH 6.0	Resolution 2.46 Å R-free 0.240
7N0Y Rigidity of loop 1 contributes to equipotency of globular and ribbon isomers of alpha-conotoxin AusIA Deposited 2021-05-26	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 20–224（205 aa） Chain B 20–224（205 aa） Chain C 20–224（205 aa） Chain D 20–224（205 aa） Chain E 20–224（205 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296.15 K；0.1 M calcium acetate hydrate, 18% PEG400, 0.1M MES pH 6.0	Resolution 2.58 Å R-free 0.253
7N43 Alpha-conotoxin OmIA with unusual pharmacological properties at alpha7 nicotinic receptors Deposited 2021-06-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric	Chain A 20–229（210 aa） Chain B 20–229（210 aa） Chain C 20–229（210 aa） Chain D 20–229（210 aa） Chain E 20–229（210 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M ammonium sulfate, 5% PEG4000 and 0.1M sodium acetate trihydrate pH 4.6	Resolution 2.47 Å R-free 0.212
7NDP X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. Deposited 2021-02-02	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 1–229（229 aa） Chain B 1–229（229 aa） Chain C 1–229（229 aa） Chain D 1–229（229 aa） Chain E 1–229（229 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 5 U8T 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 2.00 Å R-free 0.243
7NDP X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. Deposited 2021-02-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 1–229（229 aa） Chain G 1–229（229 aa） Chain H 1–229（229 aa） Chain I 1–229（229 aa） Chain J 1–229（229 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 U8T 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one × 4 SO4 SULFATE ION × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 2.00 Å R-free 0.243
7NDV X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888. Deposited 2021-02-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 1–229（229 aa） Chain B 1–229（229 aa） Chain C 1–229（229 aa） Chain D 1–229（229 aa） Chain E 1–229（229 aa）	Not recorded	U8Q 4-[4-(trifluoromethyl)phenoxy]piperidine × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 1.70 Å R-free 0.233
7NDV X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888. Deposited 2021-02-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 1–229（229 aa） Chain G 1–229（229 aa） Chain H 1–229（229 aa） Chain I 1–229（229 aa） Chain J 1–229（229 aa）	Not recorded	U8Q 4-[4-(trifluoromethyl)phenoxy]piperidine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 1.70 Å R-free 0.233
7PD6 Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Sulfoxaflor Deposited 2021-08-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain AaA 21–229（209 aa） Chain BaB 21–229（209 aa） Chain CaC 21–229（209 aa） Chain DaD 21–229（209 aa） Chain EaE 21–229（209 aa）	Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V	7II Sulfoxaflor × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol	Resolution 2.00 Å R-free 0.231
7PD6 Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Sulfoxaflor Deposited 2021-08-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain FaF 21–229（209 aa） Chain GaG 21–229（209 aa） Chain HaH 21–229（209 aa） Chain IaI 21–229（209 aa） Chain JJJ 21–229（209 aa）	Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V	7II Sulfoxaflor × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol	Resolution 2.00 Å R-free 0.231
7PDB Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyradifurone Deposited 2021-08-05	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain AaA 21–229（209 aa） Chain BaB 21–229（209 aa） Chain CaC 21–229（209 aa） Chain DaD 21–229（209 aa） Chain EaE 21–229（209 aa）	Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V	7IE Flupyradifurone × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol	Resolution 2.33 Å R-free 0.256
7PDR Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Dichloromezotiaz Deposited 2021-08-06	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain AaA 21–229（209 aa） Chain BaB 21–229（209 aa） Chain CaC 21–229（209 aa） Chain DaD 21–229（209 aa） Chain EaE 21–229（209 aa）	Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V	7JI 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol	Resolution 2.33 Å R-free 0.245
7PE5 Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Triflumezopyrim Deposited 2021-08-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain AaA 21–229（209 aa） Chain BaB 21–229（209 aa） Chain CaC 21–229（209 aa） Chain DaD 21–229（209 aa） Chain EaE 21–229（209 aa）	Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V	7OB 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol	Resolution 2.10 Å R-free 0.229
7PE6 Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyrimin Deposited 2021-08-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain AaA 21–229（209 aa） Chain BaB 21–229（209 aa） Chain CaC 21–229（209 aa） Chain DaD 21–229（209 aa） Chain EaE 21–229（209 aa）	Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V	7OF (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol	Resolution 2.01 Å R-free 0.227
7TXF The allosteric binding mode of alphaD-conotoxin VxXXB Deposited 2022-02-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 20–224（205 aa） Chain B 20–224（205 aa） Chain C 20–224（205 aa） Chain D 20–224（205 aa） Chain E 20–224（205 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296.15 K；0.91 M lithium chloride, 16% PEG6000 and 0.1 M MES monohydrate pH 6.4	Resolution 2.47 Å R-free 0.246
8P11 X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL003044. Deposited 2023-05-11	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 1–229（229 aa） Chain B 1–229（229 aa） Chain C 1–229（229 aa） Chain D 1–229（229 aa） Chain E 1–229（229 aa）	Not recorded	CL CHLORIDE ION × 5 WD5 4-(4-chlorophenyl)piperidin-4-ol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 1.90 Å R-free 0.244
8P11 X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL003044. Deposited 2023-05-11	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 1–229（229 aa） Chain G 1–229（229 aa） Chain H 1–229（229 aa） Chain I 1–229（229 aa） Chain J 1–229（229 aa）	Not recorded	CL CHLORIDE ION × 5 WD5 4-(4-chlorophenyl)piperidin-4-ol × 3 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 1.90 Å R-free 0.244
8P1E X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613. Deposited 2023-05-11	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 1–229（229 aa） Chain B 1–229（229 aa） Chain C 1–229（229 aa） Chain D 1–229（229 aa） Chain E 1–229（229 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 4 SO4 SULFATE ION × 2 WD2 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 2.10 Å R-free 0.241
8P1E X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613. Deposited 2023-05-11	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 1–229（229 aa） Chain G 1–229（229 aa） Chain H 1–229（229 aa） Chain I 1–229（229 aa） Chain J 1–229（229 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 WD2 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 2.10 Å R-free 0.241
8P1F X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. Deposited 2023-05-12	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 1–229（229 aa） Chain B 1–229（229 aa） Chain C 1–229（229 aa） Chain D 1–229（229 aa） Chain E 1–229（229 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 WCW 4-azanyl-1-phenyl-piperidine-4-carboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 2.10 Å R-free 0.255
8P1F X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. Deposited 2023-05-12	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 1–229（229 aa） Chain G 1–229（229 aa） Chain H 1–229（229 aa） Chain I 1–229（229 aa） Chain J 1–229（229 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 WCW 4-azanyl-1-phenyl-piperidine-4-carboxylic acid × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 2.10 Å R-free 0.255
8P1F X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. Deposited 2023-05-12	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain K 1–229（229 aa） Chain L 1–229（229 aa） Chain M 1–229（229 aa） Chain N 1–229（229 aa） Chain O 1–229（229 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 2.10 Å R-free 0.255
8P1F X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. Deposited 2023-05-12	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain P 1–229（229 aa） Chain Q 1–229（229 aa） Chain R 1–229（229 aa） Chain S 1–229（229 aa） Chain T 1–229（229 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 2.10 Å R-free 0.255
8P22 X-ray structure of acetylcholine-binding protein (AChBP) in complex with IOTA376. Deposited 2023-05-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric	Chain A 20–224（205 aa） Chain B 20–224（205 aa） Chain C 20–224（205 aa） Chain D 20–224（205 aa） Chain E 20–224（205 aa） Chain F 20–224（205 aa） Chain G 20–224（205 aa） Chain H 20–224（205 aa） Chain I 20–224（205 aa） Chain J 20–224（205 aa）	Not recorded	WNO 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine × 9 SO4 SULFATE ION × 3 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75	Resolution 2.20 Å R-free 0.304
8XSU Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Dinotefuran Deposited 2024-01-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 19–228（210 aa） Chain B 19–228（210 aa） Chain C 19–228（210 aa） Chain D 20–225（206 aa） Chain E 19–228（210 aa）	Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R	A1LW0 2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.4；293 K；PEG4000 16.5 - 18.0% , sodium citrate 0.2M	Resolution 2.63 Å R-free 0.254
8XSW Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Complexed with Dinotefuran Deposited 2024-01-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 19–227（209 aa） Chain B 19–227（209 aa） Chain C 19–227（209 aa） Chain D 19–227（209 aa） Chain E 19–227（209 aa）	Mutation：N66D Mutation：N66D Mutation：N66D Mutation：N66D Mutation：N66D	A1LW0 2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.7；293 K；0.2 M Na citrate, pH 5.7, 15-22% PEG3350, 1.0 mM dinotefuran,	Resolution 2.60 Å R-free 0.233
9SG3 X-ray structure of acetylcholine binding protein (AChBP) in complex with IOTA739 Deposited 2025-08-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 20–225（206 aa） Chain B 20–225（206 aa） Chain C 20–225（206 aa） Chain D 20–225（206 aa） Chain E 20–225（206 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 PHN 1,10-PHENANTHROLINE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulfate 1.8 M HEPES buffer 0.1M, pH 7.75	Resolution 3.00 Å R-free 0.269
9SG3 X-ray structure of acetylcholine binding protein (AChBP) in complex with IOTA739 Deposited 2025-08-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain F 20–225（206 aa） Chain G 20–225（206 aa） Chain H 20–225（206 aa） Chain I 20–225（206 aa） Chain J 20–225（206 aa）	Not recorded	PHN 1,10-PHENANTHROLINE × 2 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulfate 1.8 M HEPES buffer 0.1M, pH 7.75	Resolution 3.00 Å R-free 0.269

59 other PDB entries and 121 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	ACHP_LYMST
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–229； UniProt 1–229 Author chain B； PDBConstruct 1–229； UniProt 1–229 Author chain C； PDBConstruct 1–229； UniProt 1–229 Author chain D； PDBConstruct 1–229； UniProt 1–229 Author chain E； PDBConstruct 1–229； UniProt 1–229 Author chain F； PDBConstruct 1–229； UniProt 1–229 Author chain G； PDBConstruct 1–229； UniProt 1–229 Author chain H； PDBConstruct 1–229； UniProt 1–229 Author chain I； PDBConstruct 1–229； UniProt 1–229 Author chain J； PDBConstruct 1–229； UniProt 1–229

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	4alx
Deposition date deposition_date	2012-03-06
Structure title title	Crystal Structure of Ls-AChBP complexed with the potent nAChR antagonist DHbE
Keywords keywords	ACETYLCHOLINE-BINDING PROTEIN, LYMNAEA STAGNALIS, DIHYDRO-B-ERYTHROIDINE, ANTAGONIST, C-LOOP; ACETYLCHOLINE-BINDING PROTEIN
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	41.24 Å
Radius of gyration Rg (electron density) rg_electron	40.35 Å
Forward intensity I(0) i0	834095000.00
Molecular weight molecular_weight	233590.0 kDa
Excluded volume excluded_volume	290850 Å³
Envelope volume envelope_volume	387520 Å³
Hydration-shell volume shell_volume	78224 Å³
Envelope diameter envelope_diameter	141.2 Å
Shell Rg shell_rg	47.48 Å
Envelope Rg envelope_rg	39.25 Å
Shape Rg shape_rg	40.33 Å
Total Rg total_rg	40.78 Å
Total atoms total_atoms	16462
Residues n_residues	2023
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	131.8 Å
Rg (real space) rg_real	41.11 Å
Rg uncertainty (real space) rg_real_error	0.98 Å
I(0) (real space) i0_real	8.3410e+08
I(0) uncertainty (real space) i0_real_error	1.4540e+07
Rg (reciprocal space) rg_reciprocal	41.24 Å
I(0) (reciprocal space) i0_reciprocal	834200000.0000
Solution quality estimate total_estimate	0.8737
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	52.0 Å
Skewness Skewness skewness	0.258
Kurtosis Kurtosis kurtosis	-0.330
Angular range angular_range	— – 0.1900 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	114500000.0000
Real-space data points n_real_points	39
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.832; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.881

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	ACETYLCHOLINE BINDING PROTEIN
Molecular weight formula_weight	26087.3 kDa
Source method src_method	man
Copy count entity_count	10

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H,I,J
Atom count atom_count	17192

MRRNIFCLACLWIVQACLSLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREISVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKKGRSEIL

来源 Source

来源生物 organism	LYMNAEA STAGNALIS
通用名 common_name	GREAT POND SNAIL
NCBI Class编号 ncbi_taxonomy_id	6523
宿主生物 host_organism	SPODOPTERA FRUGIPERDA

Entity 2 Entity 2 non-polymer

Description description	(4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one
Molecular weight formula_weight	275.3 kDa
Source method src_method	syn
Copy count entity_count	10

Entity 3 Entity 3 non-polymer

Description description	PENTAETHYLENE GLYCOL
Molecular weight formula_weight	238.3 kDa
Source method src_method	syn
Copy count entity_count	6

Entity 4 Entity 4 non-polymer

Description description	MAGNESIUM ION
Molecular weight formula_weight	24.3 kDa
Source method src_method	syn
Copy count entity_count	6

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	688

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7. Fold Classification (SCOP + CATH) 20 domains

SCOP 2.08 (10 domains)

Domain ID domain_id	d4alxa_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d4alxb_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d4alxc_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d4alxd_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d4alxe_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d4alxf_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d4alxg_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d4alxh_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d4alxi_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

Domain ID domain_id	d4alxj_
Class class	b — All beta proteins
Fold Fold fold	b.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamily	b.96.1 — Nicotinic receptor ligand binding domain-like
Family Family family	b.96.1.1 — Nicotinic receptor ligand binding domain-like

CATH v4.4 (10 domains)

Domain ID domain_id	4alxA00
Class class	2 — Mainly Beta
Architecture architecture	70 — Distorted Sandwich
Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

Domain ID domain_id	4alxB00
Class class	2 — Mainly Beta
Architecture architecture	70 — Distorted Sandwich
Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

Domain ID domain_id	4alxC00
Class class	2 — Mainly Beta
Architecture architecture	70 — Distorted Sandwich
Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

Domain ID domain_id	4alxD00
Class class	2 — Mainly Beta
Architecture architecture	70 — Distorted Sandwich
Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

Domain ID domain_id	4alxE00
Class class	2 — Mainly Beta
Architecture architecture	70 — Distorted Sandwich
Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

Domain ID domain_id	4alxF00
Class class	2 — Mainly Beta
Architecture architecture	70 — Distorted Sandwich
Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

Domain ID domain_id	4alxG00
Class class	2 — Mainly Beta
Architecture architecture	70 — Distorted Sandwich
Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

Domain ID domain_id	4alxH00
Class class	2 — Mainly Beta
Architecture architecture	70 — Distorted Sandwich
Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

Domain ID domain_id	4alxI00
Class class	2 — Mainly Beta
Architecture architecture	70 — Distorted Sandwich
Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

Domain ID domain_id	4alxJ00
Class class	2 — Mainly Beta
Architecture architecture	70 — Distorted Sandwich
Topology topology	170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily	10 — Neurotransmitter-gated ion-channel ligand-binding domain

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8. Citations (1)

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Unit-cell length a length_a	119.249 Å
Unit-cell length b length_b	121.308 Å
Unit-cell length c length_c	152.074 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	40

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	2.300 Å
Low-resolution limit resolution_low	20.158 Å
R factor r_factor	0.2056
R_work r_work	0.2033
R_free r_free	0.2504

fit	/app/data/saxs_computation/al/4alx/4alx.fit
pddf	/app/data/pr_computation/al/4alx/4alx.pr.out
profile	/app/data/saxs_computation/al/4alx/4alx.dat