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PDB: 121 results

2YLX
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BU of 2ylx by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Asp66Ala MUTANT IN COMPLEX WITH NADP AND MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
2YLW
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SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Arg337Lys MUTANT IN COMPLEX WITH MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
2YLR
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BU of 2ylr by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLACETONE MONOOXYGENASE
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
2YLT
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BU of 2ylt by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP and MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
2WG2
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BU of 2wg2 by Molmil
NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (ALTERNATIVE REFINEMENT)
Descriptor: (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M.
Deposit date:2009-04-15
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
2WG1
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BU of 2wg1 by Molmil
TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
Authors:Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M.
Deposit date:2009-04-15
Release date:2009-08-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
2WFZ
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BU of 2wfz by Molmil
NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN
Descriptor: (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M.
Deposit date:2009-04-15
Release date:2009-08-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
2WG0
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BU of 2wg0 by Molmil
AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (OBTAINED BY IN CRYSTALLO AGING)
Descriptor: 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, ...
Authors:Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M.
Deposit date:2009-04-15
Release date:2009-08-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
2V97
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BU of 2v97 by Molmil
Structure of the unphotolysed complex of TcAChE with 1-(2- nitrophenyl)-2,2,2-trifluoroethyl-arsenocholine after a 9 seconds annealing to room temperature
Descriptor: 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
Authors:Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M.
Deposit date:2007-08-22
Release date:2007-11-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography
Acta Crystallogr.,Sect.D, 63, 2007
2V98
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BU of 2v98 by Molmil
Structure of the complex of TcAChE with 1-(2-nitrophenyl)-2,2,2- trifluoroethyl-arsenocholine after a 9 seconds annealing to room temperature, during the first 5 seconds of which laser irradiation at 266nm took place
Descriptor: 1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
Authors:Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M.
Deposit date:2007-08-22
Release date:2007-11-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography
Acta Crystallogr.,Sect.D, 63, 2007
6EUC
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BU of 6euc by Molmil
Reactivating oxime bound to Tc AChE's catalytic gorge.
Descriptor: 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I.
Deposit date:2017-10-30
Release date:2018-11-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.21998858 Å)
Cite:Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration.
Chemistry, 24, 2018
6EUE
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BU of 6eue by Molmil
Rivastigmine analogue bound to Tc ACHE.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, PENTAETHYLENE GLYCOL
Authors:De la Mora, E, Brazzolotto, X, Dighe, S.N, Silman, I, Weik, M, Ross, B.
Deposit date:2017-10-30
Release date:2018-11-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rivastigmine and metabolite analogues with putative Alzheimer's disease-modifying properties in a Caenorhabditis elegans model
Commun Chem, 2019
6EWK
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BU of 6ewk by Molmil
T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime.
Descriptor: 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I.
Deposit date:2017-11-04
Release date:2018-11-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration.
Chemistry, 24, 2018
3P7R
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BU of 3p7r by Molmil
Radiation damage study of thermolysin - 100K structure C (4.9 MGy)
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Juers, D.H, Weik, M.
Deposit date:2010-10-12
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Radiation damage study of thermolysin - 100K structure C (4.9 MGy)
To be Published
3P7Q
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BU of 3p7q by Molmil
Radiation damage study of thermolysin - 100K structure B (2.5 MGy)
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Juers, D.H, Weik, M.
Deposit date:2010-10-12
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Radiation damage study of thermolysin - 100K structure B (2.5 MGy)
To be Published
3P7W
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BU of 3p7w by Molmil
Radiation damage study of thermolysin - 160K structure D (7.1 MGy)
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Juers, D.H, Weik, M.
Deposit date:2010-10-12
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Radiation damage study of thermolysin - 160K structure D (7.1 MGy)
To be Published
3P7P
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BU of 3p7p by Molmil
Radiation damage study of thermolysin - 100K structure A (0.1 MGy)
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Juers, D.H, Weik, M.
Deposit date:2010-10-12
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Radiation damage study of thermolysin - 100K structure A (0.1 MGy)
To be Published
3P7V
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BU of 3p7v by Molmil
Radiation damage study of thermolysin - 160K structure C (4.8 MGy)
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Juers, D.H, Weik, M.
Deposit date:2010-10-12
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Radiation damage study of thermolysin - 160K structure C (4.8 MGy)
To be Published
3P7S
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BU of 3p7s by Molmil
Radiation damage study of thermolysin - 100K structure D (7.2 MGy)
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Juers, D.H, Weik, M.
Deposit date:2010-10-12
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Radiation damage study of thermolysin - 100K structure D (7.2 MGy)
To be Published
3P7T
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BU of 3p7t by Molmil
Radiation damage study of thermolysin - 160K structure A (0.1 MGy)
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Juers, D.H, Weik, M.
Deposit date:2010-10-12
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Radiation damage study of thermolysin - 160K structure A (0.1 MGy)
To be Published
3P7U
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BU of 3p7u by Molmil
Radiation damage study of thermolysin - 160K structure B (2.4 MGy)
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Juers, D.H, Weik, M.
Deposit date:2010-10-12
Release date:2010-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Radiation damage study of thermolysin - 160K structure B (2.4 MGy)
To be Published
2XI4
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BU of 2xi4 by Molmil
Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Space Group)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, AFLATOXIN B1, ...
Authors:Sanson, B, Colletier, J.P, Xu, Y, Lang, P.T, Jiang, H, Silman, I, Sussman, J.L, Weik, M.
Deposit date:2010-06-28
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Backdoor Opening Mechanism in Acetylcholinesterase Based on X-Ray Crystallography and Molecular Dynamics Simulations.
Protein Sci., 20, 2011
2XBS
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BU of 2xbs by Molmil
Raman crystallography of Hen White Egg Lysozyme - High X-ray dose (16 MGy)
Descriptor: CHLORIDE ION, LYSOZYME C
Authors:Carpentier, P, Royant, A, Weik, M, Bourgeois, D.
Deposit date:2010-04-14
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation
Structure, 18, 2010
6FQN
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BU of 6fqn by Molmil
Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, ...
Authors:De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F.
Deposit date:2018-02-14
Release date:2018-08-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.30002666 Å)
Cite:Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
6G17
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BU of 6g17 by Molmil
Non-aged form of Torpedo californica acetylcholinesterase inhibited by nerve agent tabun
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F.
Deposit date:2018-03-20
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018

221051

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