4WL6
 
 | | Raster-scanning protein crystallography using micro and nano-focused synchrotron beams | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Coquelle, N, Kapp, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P. | | Deposit date: | 2014-10-06 | | Release date: | 2015-05-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
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4WL7
 | | Room-temperature crystal structure of lysozyme determined by serial synchrotron crystallography using a micro focused beam (Conventional resolution cut-off) | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P. | | Deposit date: | 2014-10-06 | | Release date: | 2015-05-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
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8C76
 | | Light-state 2.5 Angstrom wild-type X-ray crystal structure of the cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic conditions from a form 2 crystal illuminated during 5 s | | Descriptor: | COBALAMIN, Probable transcriptional regulator | | Authors: | Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M. | | Deposit date: | 2023-01-12 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
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8C73
 | | Dark state 1.8 Angstrom crystal structure of cobalamin binding domain belonging to a light-dependent transcription regulator TtCarH obtained under aerobic condition form ll | | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, Probable transcriptional regulator | | Authors: | Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M. | | Deposit date: | 2023-01-12 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
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6H13
 | | Crystal structure of TcACHE complexed to1-(4-((Methyl((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)pyridin-2-yl)-3-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)urea | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2018-07-10 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
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6H0K
 | | Hen egg-white lysozyme structure determined with data from the EuXFEL, the first MHz free electron laser, 7.47 keV photon energy | | Descriptor: | Lysozyme C | | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | | Deposit date: | 2018-07-10 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
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6H0L
 | | Hen egg-white lysozyme structure determined with data from the EuXFEL, 9.22 keV photon energy | | Descriptor: | Lysozyme C | | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | | Deposit date: | 2018-07-10 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
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6H12
 | | Crystal structure of TcACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Coquelle, N, Colletier, J.P. | | Deposit date: | 2018-07-10 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
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4D64
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4D65
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6ZH7
 | | Crystal structure of fatty acid photodecarboxylase in the dark state determined by serial femtosecond crystallography at room temperature | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | | Authors: | Hadjidemetriou, K, Coquelle, N, Weik, M, Schlichting, I, Barends, T.R.M, Colletier, J.P. | | Deposit date: | 2020-06-21 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
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2XI4
 | | 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
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2Y1K
 | | STRUCTURE OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY CBDP (12H SOAK): PHOSPHOSERINE ADDUCT | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CHOLINESTERASE, ... | | Authors: | Carletti, E, Colletier, J.P, Nachon, F, Weik, M. | | Deposit date: | 2010-12-08 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Reaction of Cresyl Saligenin Phosphate, the Organophosphorus Agent Implicated in Aerotoxic Syndrome, with Human Cholinesterases: Mechanistic Studies Employing Kinetics, Mass Spectrometry, and X-Ray Structure Analysis.
Chem.Res.Toxicol., 24, 2011
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5DYY
 | | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)naphthalene-2-sulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coquelle, N, Brus, B, Colletier, J.P. | | Deposit date: | 2015-09-25 | | Release date: | 2017-01-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
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5DU0
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5DYT
 | | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-methylnaphthalene-2-sulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coquelle, N, Brus, B, Colletier, J.P. | | Deposit date: | 2015-09-25 | | Release date: | 2016-10-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
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5DTZ
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5DYW
 | | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coquelle, N, Brus, B, Colletier, J.P. | | Deposit date: | 2015-09-25 | | Release date: | 2017-01-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
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6RUA
 | | Structure of recombinant human butyrylcholinesterase in complex with a coumarin-based fluorescent probe linked to sulfonamide type inhibitor. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coquelle, N, Knez, D, Brus, B, Gobec, S, Colletier, J.P. | | Deposit date: | 2019-05-27 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
J Enzyme Inhib Med Chem, 35, 2020
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6T1A
 | | Structure of mosquitocidal Cyt1Aa protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 10 | | Descriptor: | CALCIUM ION, Type-1Aa cytolytic delta-endotoxin | | Authors: | Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P. | | Deposit date: | 2019-10-03 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
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6T14
 | | Native structure of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 7 | | Descriptor: | SODIUM ION, Type-1Aa cytolytic delta-endotoxin | | Authors: | Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P. | | Deposit date: | 2019-10-03 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
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6T1C
 | | Structure of the C7S mutant of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 7 | | Descriptor: | SODIUM ION, Type-1Aa cytolytic delta-endotoxin | | Authors: | Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P. | | Deposit date: | 2019-10-03 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
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6T39
 | | Crystal structure of rsEGFP2 in its off-state determined by SFX | | Descriptor: | Green fluorescent protein | | Authors: | Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | | Deposit date: | 2019-10-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy.
Nat Commun, 11, 2020
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6T3A
 | | Difference-refined structure of rsEGFP2 10 ns following 400-nm laser irradiation of the off-state determined by SFX | | Descriptor: | Green fluorescent protein | | Authors: | Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | | Deposit date: | 2019-10-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy.
Nat Commun, 11, 2020
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6TT0
 | | Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor | | Descriptor: | (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | de la Mora, E, Mangiatordi, G.F, Belviso, B.D, Caliandro, R, Colletier, J.P, Catto, M. | | Deposit date: | 2019-12-22 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.80003023 Å) | | Cite: | Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.
Acs Med.Chem.Lett., 11, 2020
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