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4B83
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BU of 4b83 by Molmil
Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-3-methoxy-benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ...
Authors:Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
8SZO
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BU of 8szo by Molmil
Canavalia villosa lectin in complex with alpha-methyl-mannoside
Descriptor: CALCIUM ION, Canavalia villosa lectin, GLYCEROL, ...
Authors:Cavada, B.S, Lossio, C.F, Pinto-Junior, V.R, Osterne, V.J.S, Oliveira, M.V, Neco, A.H.B, Nascimento, K.S.
Deposit date:2023-05-30
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lectin from Canavalia villosa seeds: A glucose/mannose-specific protein and a new tool for inflammation studies.
Int J Biol Macromol, 105, 2017
3ZV7
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BU of 3zv7 by Molmil
Torpedo californica Acetylcholinesterase Inhibition by Bisnorcymserine
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bartolucci, C, Stojan, J, Greig, N.H, Lamba, D.
Deposit date:2011-07-24
Release date:2012-05-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Kinetics of Torpedo Californica Acetylcholinesterase Inhibition by Bisnorcymserine and Crystal Structure of the Complex with its Leaving Group.
Biochem.J., 444, 2012
4B85
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BU of 4b85 by Molmil
Mus musculus Acetylcholinesterase in complex with 4-Chloranyl-N-(2- diethylamino-ethyl)-benzenesulfonamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide, ACETYLCHOLINESTERASE, ...
Authors:Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
4BC1
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BU of 4bc1 by Molmil
Structure of mouse acetylcholinesterase inhibited by CBDP (30-min soak): cresyl-saligenin-phosphoserine adduct
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ...
Authors:Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M.
Deposit date:2012-09-30
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry
Chem.Res.Toxicol., 26, 2013
4B80
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BU of 4b80 by Molmil
Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino-ethyl)-1-(4-fluoro-phenyl)-methanesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
Authors:Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Divergent structure-activity relationships of structurally similar acetylcholinesterase inhibitors.
J. Med. Chem., 56, 2013
4K0V
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BU of 4k0v by Molmil
Structural basis for angiopoietin-1 mediated signaling initiation
Descriptor: Angiopoietin-1, TEK tyrosine kinase variant
Authors:Yu, X, Seegar, T.C.M, Dalton, A.C, Tzvetkova-Robev, D, Goldgur, Y, Nikolov, D.B, Barton, W.A.
Deposit date:2013-04-04
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.51 Å)
Cite:Structural basis for angiopoietin-1-mediated signaling initiation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4B82
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BU of 4b82 by Molmil
Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-2-fluoranyl-benzenesulfonamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
4B7Z
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BU of 4b7z by Molmil
Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino-ethyl)-1-(4-methylphenyl)-methanesulfonamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
4ARB
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BU of 4arb by Molmil
Mus musculus Acetylcholinesterase in complex with (S)-C5685 at 2.25 A resolution.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ACETYLCHOLINESTERASE, ...
Authors:Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A.
Deposit date:2012-04-23
Release date:2012-11-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
4B81
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BU of 4b81 by Molmil
Mus musculus Acetylcholinesterase in complex with 1-(4-Chloro-phenyl)- N-(2-diethylamino-ethyl)-methanesulfonamide
Descriptor: 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
Authors:Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
4B84
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BU of 4b84 by Molmil
Mus musculus Acetylcholinesterase in complex with N-(2-Diethylamino- ethyl)-3-trifluoromethyl-benzenesulfonamide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECANE, ACETYLCHOLINESTERASE, ...
Authors:Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Berg, L, Qian, W, Ekstrom, F, Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
4BC0
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BU of 4bc0 by Molmil
Structure of mouse acetylcholinesterase inhibited by CBDP (12-h soak) : Cresyl-phosphoserine adduct
Descriptor: (2-methylphenyl) dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
Authors:Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M.
Deposit date:2012-09-30
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry
Chem.Res.Toxicol., 26, 2013
1MIK
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BU of 1mik by Molmil
THE ROLE OF WATER MOLECULES IN THE STRUCTURE-BASED DESIGN OF (5-HYDROXYNORVALINE)-2-CYCLOSPORIN: SYNTHESIS, BIOLOGICAL ACTIVITY, AND CRYSTALLOGRAPHIC ANALYSIS WITH CYCLOPHILIN A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Mikol, V.
Deposit date:1995-09-20
Release date:1996-03-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The Role of Water Molecules in the Structure-Based Design of (5-Hydroxynorvaline)-2-Cyclosporin: Synthesis, Biological Activity, and Crystallographic Analysis with Cyclophilin A.
J.Med.Chem., 38, 1995
1IKF
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BU of 1ikf by Molmil
A CONFORMATION OF CYCLOSPORIN A IN AQUEOUS ENVIRONMENT REVEALED BY THE X-RAY STRUCTURE OF A CYCLOSPORIN-FAB COMPLEX
Descriptor: CYCLOSPORIN A, IGG1-KAPPA R45-45-11 FAB (HEAVY CHAIN), IGG1-KAPPA R45-45-11 FAB (LIGHT CHAIN)
Authors:Vix, O, Altschuh, D, Rees, B, Thierry, J.-C.
Deposit date:1993-12-09
Release date:1995-03-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Conformation of Cyclosporin a in Aqueous Environment Revealed by the X-Ray Structure of a Cyclosporin-Fab Complex.
Science, 256, 1992
1NDA
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BU of 1nda by Molmil
THE STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN THE OXIDIZED AND NADPH REDUCED STATE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE OXIDOREDUCTASE
Authors:Lantwin, C.B, Kabsch, W, Pai, E.F, Schlichting, I, Krauth-Siegel, R.L.
Deposit date:1993-07-02
Release date:1994-09-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The structure of Trypanosoma cruzi trypanothione reductase in the oxidized and NADPH reduced state.
Proteins, 18, 1994
1P6X
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BU of 1p6x by Molmil
Crystal structure of EHV4-TK complexed with Thy and SO4
Descriptor: SULFATE ION, THYMIDINE, Thymidine kinase
Authors:Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A.
Deposit date:2003-04-30
Release date:2003-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases.
Structure, 11, 2003
4QM8
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BU of 4qm8 by Molmil
Crystal Structure of a Putative Cysteine Dioxygnase From Bacillus subtilis: A Alternative Modeling of 3EQE
Descriptor: CYSTEINE, Cysteine dioxygenase, FE (III) ION
Authors:Hartman, S.H, Driggers, C.M, Karplus, P.A.
Deposit date:2014-06-15
Release date:2014-11-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structures of Arg- and Gln-type bacterial cysteine dioxygenase homologs.
Protein Sci., 24, 2015
4GUX
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BU of 4gux by Molmil
Crystal structure of trypsin:MCoTi-II complex
Descriptor: ACETATE ION, CALCIUM ION, Cationic trypsin, ...
Authors:King, G.J, Daly, N.L, Thorstholm, L, Greenwood, K.P, Rosengren, K.J, Heras, B, Craik, D.J, Martin, J.L.
Deposit date:2012-08-30
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structural insights into the role of the cyclic backbone in a squash trypsin inhibitor
J.Biol.Chem., 288, 2013
3T6J
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BU of 3t6j by Molmil
Structure of human DPPIII in complex with the opioid peptide Tynorphin, at 3.0 Angstroms
Descriptor: Dipeptidyl peptidase 3, Tynorphin
Authors:Bezerra, G.A, Gruber, K.
Deposit date:2011-07-28
Release date:2012-04-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.976 Å)
Cite:Entropy-driven binding of opioid peptides induces a large domain motion in human dipeptidyl peptidase III.
Proc.Natl.Acad.Sci.USA, 109, 2012
3SWM
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BU of 3swm by Molmil
The NAC domain of ANAC019 in complex with DNA, gold derivative
Descriptor: GOLD ION, NAC domain-containing protein 19, oligonucleotide forward, ...
Authors:Welner, D, Lo Leggio, L.
Deposit date:2011-07-14
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:DNA binding by the plant-specific NAC transcription factors in crystal and solution: a firm link to WRKY and GCM transcription factors.
Biochem.J., 444, 2012
5VAW
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BU of 5vaw by Molmil
Fusion of Maltose-binding Protein and PilA from Acinetobacter baumannii AB5075
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTAMIC ACID, LYSINE, ...
Authors:Piepenbrink, K.H, Sundberg, E.J.
Deposit date:2017-03-28
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The structure of PilA fromAcinetobacter baumanniiAB5075 suggests a mechanism for functional specialization inAcinetobactertype IV pili.
J. Biol. Chem., 294, 2019
3SWP
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BU of 3swp by Molmil
ANAC019 NAC domain in complex with DNA
Descriptor: NAC domain-containing protein 19, oligonucleotide forward, oligonucleotide reverse
Authors:Welner, D, Lo Leggio, L.
Deposit date:2011-07-14
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.113 Å)
Cite:DNA binding by the plant-specific NAC transcription factors in crystal and solution: a firm link to WRKY and GCM transcription factors.
Biochem.J., 444, 2012
4DUL
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BU of 4dul by Molmil
ANAC019 NAC domain crystal form IV
Descriptor: NAC domain-containing protein 19
Authors:Lo Leggio, L, Helgstrand, C, Welner, D, Olsen, A.N, Skriver, K.
Deposit date:2012-02-22
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:DNA binding by the plant-specific NAC transcription factors in crystal and solution: a firm link to WRKY and GCM transcription factors.
Biochem.J., 444, 2012
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

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