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6O66
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BU of 6o66 by Molmil
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
分子名称: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-05
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.452 Å)
主引用文献Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6O4W
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BU of 6o4w by Molmil
Binary complex of native hAChE with Donepezil
分子名称: 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O52
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BU of 6o52 by Molmil
Room temperature structure of binary complex of native hAChE with BW284c51
分子名称: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O5R
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BU of 6o5r by Molmil
Room temperature structure of binary complex of native hAChE with oxime reactivator RS-170B
分子名称: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, CHLORIDE ION
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-04
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6O50
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BU of 6o50 by Molmil
Binary complex of native hAChE with BW284c51
分子名称: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O4X
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BU of 6o4x by Molmil
Binary complex of native hAChE with 9-aminoacridine
分子名称: 9-AMINOACRIDINE, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O5S
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BU of 6o5s by Molmil
Room temperature structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
分子名称: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-04
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
3C84
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BU of 3c84 by Molmil
Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid thiacloprid
分子名称: ISOPROPYL ALCOHOL, MAGNESIUM ION, Soluble acetylcholine receptor, ...
著者Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W.
登録日2008-02-08
公開日2008-05-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3C79
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BU of 3c79 by Molmil
Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid
分子名称: (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor
著者Talley, T.T, Harel, M, Hibbs, R.E, Tomizawa, M, Casida, J.E, Taylor, P.W.
登録日2008-02-06
公開日2008-05-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Atomic interactions of neonicotinoid agonists with AChBP: molecular recognition of the distinctive electronegative pharmacophore.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6U34
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BU of 6u34 by Molmil
Binary complex of native hAChE with oxime reactivator RS194B
分子名称: (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ...
著者Kovalevsky, A, Gerlits, O, Radic, Z.
登録日2019-08-21
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
6U37
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BU of 6u37 by Molmil
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS194B
分子名称: (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ...
著者Kovalevsky, A, Gerlits, O, Radic, Z.
登録日2019-08-21
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
6U3P
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BU of 6u3p by Molmil
Binary complex of native hAChE with oxime reactivator LG-703
分子名称: (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide], Acetylcholinesterase, DIMETHYL SULFOXIDE
著者Kovalevsky, A, Gerlits, O, Radic, Z.
登録日2019-08-22
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
3SH1
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BU of 3sh1 by Molmil
Ac-AChBP ligand binding domain mutated to human alpha-7 nAChR
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nemecz, A, Taylor, P.W.
登録日2011-06-15
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Creating an alpha-7 nicotinic acetylcholine recognition domain from the acetylcholine binding protein: crystallographic and ligand selectivity analyses
J.Biol.Chem., 286, 2011
3SIO
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BU of 3sio by Molmil
Ac-AChBP ligand binding domain (not including beta 9-10 linker) mutated to human alpha-7 nAChR
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nemecz, A, Taylor, P.W.
登録日2011-06-19
公開日2011-10-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Creating an alpha-7 nicotinic acetylcholine recognition domain from the acetylcholine binding protein: crystallographic and ligand selectivity analyses
J.Biol.Chem., 286, 2011
2ACE
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BU of 2ace by Molmil
NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA
分子名称: ACETYLCHOLINE, ACETYLCHOLINESTERASE
著者Harel, M, Raves, M.L, Silman, I, Sussman, J.L.
登録日1996-06-23
公開日1996-11-08
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A.
Nat.Struct.Biol., 4, 1997
3T4M
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BU of 3t4m by Molmil
Ac-AChBP ligand binding domain mutated to human alpha-7 nAChR (intermediate)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nemecz, A, Taylor, P.W.
登録日2011-07-26
公開日2011-10-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Creating an alpha-7 nicotinic acetylcholine recognition domain from the acetylcholine binding protein: crystallographic and ligand selectivity analyses
J.Biol.Chem., 286, 2011
2IGU
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BU of 2igu by Molmil
Deamidated analogue of ImI Conotoxin
分子名称: Alpha-conotoxin ImI
著者Kini, R.M, Kang, T.S.
登録日2006-09-25
公開日2007-08-14
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
2IH6
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BU of 2ih6 by Molmil
Pro6 variant of CMrVIA conotoxin
分子名称: Lambda-conotoxin CMrVIA
著者Kini, R.M, Kang, T.S.
登録日2006-09-26
公開日2007-08-14
最終更新日2020-06-24
実験手法SOLUTION NMR
主引用文献Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
2IHA
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BU of 2iha by Molmil
Amidated variant of CMrVIA conotoxin
分子名称: Lambda-conotoxin CMrVIA
著者Kini, R.M, Kang, T.S.
登録日2006-09-26
公開日2007-08-14
最終更新日2020-06-24
実験手法SOLUTION NMR
主引用文献Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
2IFI
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BU of 2ifi by Molmil
Ala6 Variant of ImI Conotoxin
分子名称: Alpha-conotoxin ImI
著者Kini, R.M, Kang, T.S.
登録日2006-09-21
公開日2007-08-14
最終更新日2020-06-24
実験手法SOLUTION NMR
主引用文献Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
2IFZ
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BU of 2ifz by Molmil
Lys6 Variant of ImI Conotoxin
分子名称: Alpha-conotoxin ImI
著者Kini, R.M, Kang, T.S.
登録日2006-09-22
公開日2007-08-14
最終更新日2020-06-24
実験手法SOLUTION NMR
主引用文献Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
2IH7
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BU of 2ih7 by Molmil
Amidated Pro6 Analogue of CMrVIA conotoxin
分子名称: Lambda-conotoxin CMrVIA
著者Kini, R.M, Kang, T.S.
登録日2006-09-26
公開日2007-08-14
最終更新日2020-06-24
実験手法SOLUTION NMR
主引用文献Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
2IFJ
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BU of 2ifj by Molmil
Lys6 deamidated variant of ImI conotoxin
分子名称: Alpha-conotoxin ImI
著者Kini, R.M, Kang, T.S.
登録日2006-09-21
公開日2007-08-14
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Protein folding determinants: structural features determining alternative disulfide pairing in alpha- and chi/lambda-conotoxins
Biochemistry, 46, 2007
4NUN
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BU of 4nun by Molmil
Crystal structure of copper-bound Na-ASP-2
分子名称: Ancylostoma secreted protein 2, COPPER (II) ION
著者Hofmann, A.
登録日2013-12-03
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50, 2014
4NUO
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BU of 4nuo by Molmil
Crystal structure of zinc-bound Na-ASP-2
分子名称: Ancylostoma secreted protein 2, ZINC ION
著者Hofmann, A.
登録日2013-12-03
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Probing the equatorial groove of the hookworm protein and vaccine candidate antigen, Na-ASP-2.
Int.J.Biochem.Cell Biol., 50, 2014

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