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STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE
著者	Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L.
登録日	2003-02-15
公開日	2005-03-23
最終更新日	2023-12-13
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge. J.Med.Chem., 49, 2006

1ACL

QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE
分子名称:	ACETYLCHOLINESTERASE, DECAMETHONIUM ION
著者	Sussman, J.L, Harel, M, Silman, I.
登録日	1993-08-18
公開日	1994-08-31
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase. Proc.Natl.Acad.Sci.USA, 90, 1993

1UT6

Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8- diaminooctane at 2.4 angstroms resolution.
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE
著者	Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L.
登録日	2003-12-04
公開日	2005-04-21
最終更新日	2023-12-13
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge. J.Med.Chem., 49, 2006

1ACJ

QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE
分子名称:	ACETYLCHOLINESTERASE, TACRINE
著者	Sussman, J.L, Harel, M, Silman, I.
登録日	1993-08-18
公開日	1994-08-31
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase. Proc.Natl.Acad.Sci.USA, 90, 1993

1GQR

ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH RIVASTIGMINE
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, ACETYLCHOLINESTERASE, ...
著者	Raves, M.L, Harel, M, Silman, I, Sussman, J.L.
登録日	2001-12-04
公開日	2002-03-15
最終更新日	2023-12-13
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Kinetic and Structural Studies on the Interaction of Cholinesterases with the Anti-Alzheimer Drug Rivastigmine Biochemistry, 41, 2002

1H23

Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution
分子名称:	(S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
著者	Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.F, Pang, Y.P, Silman, I, Sussman, J.L.
登録日	2002-07-30
公開日	2002-12-23
最終更新日	2023-12-13
実験手法	X-RAY DIFFRACTION (2.15 Å)
主引用文献	Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity J.Am.Chem.Soc., 125, 2003

1GQS

ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH NAP
分子名称:	2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, ACETYLCHOLINESTERASE
著者	Bar-on, P, Millard, C.B, Harel, M, Dvir, H, Enz, A, Sussman, J.L, Silman, I.
登録日	2001-12-04
公開日	2002-03-15
最終更新日	2023-12-13
実験手法	X-RAY DIFFRACTION (3 Å)
主引用文献	Kinetic and Structural Studies on the Interaction of Cholinesterases with the Anti-Alzheimer Drug Rivastigmine Biochemistry, 41, 2002

1H22

Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(10)-hupyridone at 2.15A resolution
分子名称:	(S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
著者	Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L.
登録日	2002-07-30
公開日	2002-12-23
最終更新日	2023-12-13
実験手法	X-RAY DIFFRACTION (2.15 Å)
主引用文献	Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity J.Am.Chem.Soc., 125, 2003

2VGC

GAMMA-CHYMOTRYPSIN D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称:	D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
著者	Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日	1997-05-01
公開日	1997-11-12
最終更新日	2023-08-09
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998

7B38

Torpedo californica acetylcholinesterase complexed with Mg+2
分子名称:	1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者	Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L.
登録日	2020-11-29
公開日	2021-03-17
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif. Protein Sci., 30, 2021

7B2W

Torpedo californica acetylcholinesterase complexed with UO2
分子名称:	Acetylcholinesterase, URANYL (VI) ION
著者	Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L.
登録日	2020-11-28
公開日	2021-03-17
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.65 Å)
主引用文献	Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif. Protein Sci., 30, 2021

7B8E

Torpedo californica acetylcholinesterase complexed with Ca+2
分子名称:	1,2-ETHANEDIOL, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者	Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L.
登録日	2020-12-12
公開日	2021-03-17
最終更新日	2024-01-31
実験手法	X-RAY DIFFRACTION (2.23 Å)
主引用文献	Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif. Protein Sci., 30, 2021

1OCE

ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH MF268
分子名称:	ACETYLCHOLINESTERASE, CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE
著者	Bartolucci, C, Perola, E, Cellai, L, Brufani, M, Lamba, D.
登録日	1998-06-12
公開日	1999-05-18
最終更新日	2023-08-09
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	"Back door" opening implied by the crystal structure of a carbamoylated acetylcholinesterase. Biochemistry, 38, 1999

1QTI

Acetylcholinesterase (E.C.3.1.1.7)
分子名称:	(-)-GALANTHAMINE, ACETYLCHOLINESTERASE
著者	Bartolucci, C, Perola, E, Pilger, C, Fels, G, Lamba, D.
登録日	1999-06-28
公開日	1999-12-29
最終更新日	2021-06-02
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Three-dimensional structure of a complex of galanthamine (Nivalin) with acetylcholinesterase from Torpedo californica: implications for the design of new anti-Alzheimer drugs Proteins, 42, 2001

3VGC

GAMMA-CHYMOTRYPSIN L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ACID INHIBITOR COMPLEX
分子名称:	GAMMA CHYMOTRYPSIN, L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, SULFATE ION
著者	Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日	1997-05-01
公開日	1997-11-12
最終更新日	2023-08-09
実験手法	X-RAY DIFFRACTION (1.67 Å)
主引用文献	Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998

2DFP

X-RAY STRUCTURE OF AGED DI-ISOPROPYL-PHOSPHORO-FLUORIDATE (DFP) BOUND TO ACETYLCHOLINESTERASE
分子名称:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者	Kryger, G, Millard, C.B, Silman, I, Sussman, J.L.
登録日	1998-12-07
公開日	1999-06-28
最終更新日	2023-08-23
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Crystal structures of aged phosphonylated acetylcholinesterase: nerve agent reaction products at the atomic level. Biochemistry, 38, 1999

1ZGC

Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor.
分子名称:	(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者	Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC)
登録日	2005-04-21
公開日	2005-08-16
最終更新日	2020-07-29
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase J.Am.Chem.Soc., 127, 2005

1ZGB

Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor.
分子名称:	(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者	Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC)
登録日	2005-04-21
公開日	2005-08-16
最終更新日	2020-07-29
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase J.Am.Chem.Soc., 127, 2005

1VGC

GAMMA-CHYMOTRYPSIN L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称:	GAMMA CHYMOTRYPSIN, L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, SULFATE ION
著者	Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日	1997-05-01
公開日	1997-11-12
最終更新日	2023-08-09
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998

1VOT

ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH HUPERZINE A
分子名称:	ACETYLCHOLINESTERASE, Huperzine A
著者	Raves, M.L, Harel, M, Silman, I, Sussman, J.L.
登録日	1996-06-23
公開日	1997-06-16
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

1AFQ

CRYSTAL STRUCTURE OF BOVINE GAMMA-CHYMOTRYPSIN COMPLEXED WITH A SYNTHETIC INHIBITOR
分子名称:	BOVINE GAMMA-CHYMOTRYPSIN, D-leucyl-N-(4-fluorobenzyl)-L-phenylalaninamide, SULFATE ION
著者	Sugio, S, Kashima, A, Inoue, Y, Maeda, I, Nose, T, Shimohigashi, Y.
登録日	1997-03-12
公開日	1997-09-17
最終更新日	2023-08-02
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	X-ray crystal structure of a dipeptide-chymotrypsin complex in an inhibitory interaction. Eur.J.Biochem., 255, 1998

188D

HYDRATION PATTERNS AND INTERMOLECULAR INTERACTIONS IN A-DNA CRYSTAL STRUCTURES. IMPLICATIONS FOR DNA RECOGNITION
分子名称:	DNA (5'-D(GPGPGPCPGPCPCPC)-3')
著者	Eisenstein, M, Shakked, Z.
登録日	1994-09-02
公開日	1995-02-07
最終更新日	2024-02-07
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Hydration patterns and intermolecular interactions in A-DNA crystal structures. Implications for DNA recognition. J.Mol.Biol., 248, 1995

1BXZ

CRYSTAL STRUCTURE OF A THERMOPHILIC ALCOHOL DEHYDROGENASE SUBSTRATE COMPLEX FROM THERMOANAEROBACTER BROCKII
分子名称:	2-BUTANOL, CHLORIDE ION, MAGNESIUM ION, ...
著者	Li, C, Heatwole, J, Soelaiman, S, Shoham, M.
登録日	1998-10-09
公開日	2000-02-18
最終更新日	2024-05-22
実験手法	X-RAY DIFFRACTION (2.99 Å)
主引用文献	Crystal structure of a thermophilic alcohol dehydrogenase substrate complex suggests determinants of substrate specificity and thermostability. Proteins, 37, 1999

1AMN

TRANSITION STATE ANALOG: ACETYLCHOLINESTERASE COMPLEXED WITH M-(N,N,N-TRIMETHYLAMMONIO)TRIFLUOROACETOPHENONE
分子名称:	ACETYLCHOLINESTERASE, M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE, SULFATE ION
著者	Harel, M, Silman, I, Sussman, J.L.
登録日	1996-02-13
公開日	1996-04-03
最終更新日	2021-06-02
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	The X-ray structure of a transition state analog complex reveals the molecular origins of the catalytic power and substrate specificity of acetylcholinesterase. J.Am.Chem.Soc., 118, 1996

1E3J

Ketose reductase (sorbitol dehydrogenase) from silverleaf whitefly
分子名称:	BORIC ACID, NADP(H)-DEPENDENT KETOSE REDUCTASE, PHOSPHATE ION, ...
著者	Banfield, M.J, Salvucci, M.E, Baker, E.N, Smith, C.A.
登録日	2000-06-19
公開日	2001-02-04
最終更新日	2024-05-08
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Crystal Structure of Nadp(H)-Dependent Ketose Reductase from Besimia Argentifolii at 2.3 Angstrom Resolution J.Mol.Biol., 306, 2001

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