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1ODC
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BU of 1odc by Molmil
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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE
Authors:Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L.
Deposit date:2003-02-15
Release date:2005-03-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
1ZGC
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BU of 1zgc by Molmil
Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor.
Descriptor: (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
Authors:Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC)
Deposit date:2005-04-21
Release date:2005-08-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
1ZGB
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BU of 1zgb by Molmil
Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor.
Descriptor: (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
Authors:Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC)
Deposit date:2005-04-21
Release date:2005-08-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
1UT6
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BU of 1ut6 by Molmil
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.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE
Authors:Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L.
Deposit date:2003-12-04
Release date:2005-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
5X61
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BU of 5x61 by Molmil
Crystal structure of Acetylcholinesterase Catalytic Subunit of the Malaria Vector Anopheles Gambiae, 3.4 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMMONIUM ION, ...
Authors:Han, Q, Robinson, H, Ding, H, Wong, D.M, Lam, P.C.H, Totrov, M.M, Carlier, P.R, Li, J.
Deposit date:2017-02-20
Release date:2017-03-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae
Insect Sci., 2017
1H23
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BU of 1h23 by Molmil
Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution
Descriptor: (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
Authors:Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.F, Pang, Y.P, Silman, I, Sussman, J.L.
Deposit date:2002-07-30
Release date:2002-12-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
1H22
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BU of 1h22 by Molmil
Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(10)-hupyridone at 2.15A resolution
Descriptor: (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
Authors:Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L.
Deposit date:2002-07-30
Release date:2002-12-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
6ARY
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BU of 6ary by Molmil
Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in complex with a difluoromethyl ketone inhibitor
Descriptor: (1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R.
Deposit date:2017-08-23
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.257 Å)
Cite:Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance.
Structure, 26, 2018
6ARX
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BU of 6arx by Molmil
Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in the ligand-free state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ...
Authors:Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R.
Deposit date:2017-08-23
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance.
Structure, 26, 2018
2CKM
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BU of 2ckm by Molmil
Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (7 carbon linker)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE
Authors:Brumshtein, B, Rydberg, E.H, Greenblatt, H.M, Wong, D.M, Shaya, D, Williams, L.D, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L.
Deposit date:2006-04-20
Release date:2006-09-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge.
J. Med. Chem., 49, 2006
4F3Q
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BU of 4f3q by Molmil
Structure of a YebC family protein (CBU_1566) from Coxiella burnetii
Descriptor: SULFATE ION, Transcriptional regulatory protein CBU_1566
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2012-05-09
Release date:2012-06-27
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4F3R
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BU of 4f3r by Molmil
Structure of phosphopantetheine adenylyltransferase (CBU_0288) from Coxiella burnetii
Descriptor: CALCIUM ION, Phosphopantetheine adenylyltransferase
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2012-05-09
Release date:2012-07-04
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4NBQ
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BU of 4nbq by Molmil
Structure of the polynucleotide phosphorylase (CBU_0852) from Coxiella burnetii
Descriptor: Polyribonucleotide nucleotidyltransferase, SULFATE ION
Authors:Rudolph, M.J, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2013-10-23
Release date:2015-06-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.9138 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4NG4
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BU of 4ng4 by Molmil
Structure of phosphoglycerate kinase (CBU_1782) from Coxiella burnetii
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoglycerate kinase
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2013-11-01
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3UWC
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BU of 3uwc by Molmil
Structure of an aminotransferase (DegT-DnrJ-EryC1-StrS family) from Coxiella burnetii in complex with PMP
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ...
Authors:Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-12-01
Release date:2011-12-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
2CMF
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BU of 2cmf by Molmil
Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (5 carbon linker)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE
Authors:Rydberg, E.H, Brumshtein, B, Greenblatt, H.M, Wong, D.M, Pang, Y.P, Silman, I, Sussman, J.L.
Deposit date:2006-05-08
Release date:2006-09-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge.
J. Med. Chem., 49, 2006
3TQA
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BU of 3tqa by Molmil
Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with NADPH
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Franklin, M.C, Cassidy, M, Hillerich, B, Love, J.
Deposit date:2011-09-09
Release date:2011-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQU
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BU of 3tqu by Molmil
Structure of a HAM1 protein from Coxiella burnetii
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Non-canonical purine NTP pyrophosphatase
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TR1
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BU of 3tr1 by Molmil
Structure of a 3-phosphoshikimate 1-carboxyvinyltransferase (aroA) from Coxiella burnetii
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, PHOSPHATE ION, POTASSIUM ION
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQ8
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BU of 3tq8 by Molmil
Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
Authors:Franklin, M.C, Cassidy, M, Hillerich, B, Love, J.
Deposit date:2011-09-09
Release date:2011-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQG
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BU of 3tqg by Molmil
Structure of the 2-methylcitrate synthase (prpC) from Coxiella burnetii
Descriptor: 2-methylcitrate synthase
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TR5
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BU of 3tr5 by Molmil
Structure of a peptide chain release factor 3 (prfC) from Coxiella burnetii
Descriptor: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Peptide chain release factor 3
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQM
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BU of 3tqm by Molmil
Structure of an ribosomal subunit interface protein from Coxiella burnetii
Descriptor: Ribosome-associated factor Y, SULFATE ION
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQX
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BU of 3tqx by Molmil
Structure of the 2-amino-3-ketobutyrate coenzyme A ligase (kbl) from Coxiella burnetii
Descriptor: 2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TRD
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BU of 3trd by Molmil
Structure of an alpha-beta serine hydrolase homologue from Coxiella burnetii
Descriptor: ACETATE ION, Alpha/beta hydrolase, PHOSPHATE ION, ...
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015

 

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