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2WG0
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BU of 2wg0 by Molmil
AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (OBTAINED BY IN CRYSTALLO AGING)
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.
登録日2009-04-15
公開日2009-08-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
6F7Q
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BU of 6f7q by Molmil
Human Butyrylcholinesterase complexed with N-Propargyliperidines
分子名称: 1,2-ETHANEDIOL, 2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Coquelle, N, Knez, D, Colletier, J.P, Gobec, S.
登録日2017-12-11
公開日2018-09-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities.
Eur.J.Med.Chem., 156, 2018
6F3K
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BU of 6f3k by Molmil
Combined solid-state NMR, solution-state NMR and EM data for structure determination of the tetrahedral aminopeptidase TET2 from P. horikoshii
分子名称: Tetrahedral aminopeptidase, ZINC ION
著者Gauto, D.F, Estrozi, L.F, Schwieters, C.D, Effantin, G, Macek, P, Sounier, R, Kerfah, R, Sivertsen, A.C, Colletier, J.P, Boisbouvier, J, Schoehn, G, Favier, A, Schanda, P.
登録日2017-11-28
公開日2018-03-14
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (4.1 Å), SOLID-STATE NMR, SOLUTION NMR
主引用文献Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex.
Nat Commun, 10, 2019
6G1U
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BU of 6g1u by Molmil
Crystal structure of Torpedo Californica acetylcholinesterase in complex with 9-Amino-6-chloro-1,2,3,4-tetrahydro-10-methylacridin-10-ium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloranyl-10-methyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine, Acetylcholinesterase, ...
著者Coquelle, N, Colletier, J.P.
登録日2018-03-22
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Increasing Polarity in Tacrine and Huprine Derivatives: Potent Anticholinesterase Agents for the Treatment of Myasthenia Gravis.
Molecules, 23, 2018
6GW9
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BU of 6gw9 by Molmil
Concanavalin A structure determined with data from the EuXFEL, the first MHz free electron laser
分子名称: CALCIUM ION, Concanavalin V, MAGNESIUM ION
著者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.
登録日2018-06-22
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
6GWA
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BU of 6gwa by Molmil
Concanavalin B structure determined with data from the EuXFEL, the first MHz free electron laser
分子名称: Concanavalin B
著者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.
登録日2018-06-22
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
6G1W
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BU of 6g1w by Molmil
Crystal structure of Torpedo Californica acetylcholinesterase in complex with 2-{1-[2-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1H-1,2,3-triazol-4-yl}-N-[4-(hydroxy)-3-methoxybenzyl]acetamide
分子名称: 2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{N}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Coquelle, N, Colletier, J.P.
登録日2018-03-22
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Increasing Polarity in Tacrine and Huprine Derivatives: Potent Anticholinesterase Agents for the Treatment of Myasthenia Gravis.
Molecules, 23, 2018
6G1V
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BU of 6g1v by Molmil
Crystal structure of Torpedo Californica acetylcholinesterase in complex with 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium
分子名称: 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Coquelle, N, Colletier, J.P.
登録日2018-03-22
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Increasing Polarity in Tacrine and Huprine Derivatives: Potent Anticholinesterase Agents for the Treatment of Myasthenia Gravis.
Molecules, 23, 2018
6H14
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BU of 6h14 by Molmil
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)pyridin-2-yl)urea
分子名称: 1,2-ETHANEDIOL, 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Coquelle, N, Colletier, J.P.
登録日2018-07-10
公開日2019-05-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献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
6H5S
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BU of 6h5s by Molmil
Cryo-EM map of in vitro assembled Measles virus N into nucleocapsid-like particles (NCLPs) bound to viral genomic 5-prime RNA hexamers.
分子名称: Nucleocapsid, RNA (5'-R(*AP*CP*CP*AP*GP*A)-3')
著者Desfosses, A, Milles, S, Ringkjobing Jensen, M, Guseva, S, Colletier, J.P, Maurin, D, Schoehn, G, Gutsche, I, Ruigrok, R, Blackledge, M.
登録日2018-07-25
公開日2019-06-12
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Assembly and cryo-EM structures of RNA-specific measles virus nucleocapsids provide mechanistic insight into paramyxoviral replication.
Proc.Natl.Acad.Sci.USA, 116, 2019
5FVF
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BU of 5fvf by Molmil
Room temperature structure of IrisFP determined by serial femtosecond crystallography.
分子名称: AMMONIUM ION, Green to red photoconvertible GFP-like protein EosFP, SULFATE ION
著者Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M.
登録日2016-02-06
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp.
J.Phys.Chem.Lett., 7, 2016
5FVG
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BU of 5fvg by Molmil
Structure of IrisFP at 100 K.
分子名称: Green to red photoconvertible GFP-like protein EosFP, SULFATE ION
著者Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M.
登録日2016-02-07
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp.
J.Phys.Chem.Lett, 7, 2016
5FOY
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BU of 5foy by Molmil
De novo structure of the binary mosquito larvicide BinAB at pH 7
分子名称: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2015-11-26
公開日2016-10-05
最終更新日2019-08-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
2J4C
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BU of 2j4c by Molmil
Structure of human Butyrylcholinesterase in complex with 10mM HgCl2
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Colletier, J.P, Frasco, M.F, Carvalho, F, Guilhermino, L, Stojan, J, Fournier, D, Weik, M.
登録日2006-08-28
公開日2007-03-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Mechanisms of Cholinesterase Inhibition by Inorganic Mercury.
FEBS J., 274, 2007
3OW9
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BU of 3ow9 by Molmil
Structure of an amyloid forming peptide KLVFFA from amyloid beta, alternate polymorph II
分子名称: KLVFFA hexapeptide segment from Amyloid beta
著者Landau, M, Eisenberg, D.
登録日2010-09-17
公開日2011-08-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis for amyloid-{beta} polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
5FOZ
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BU of 5foz by Molmil
De novo structure of the binary mosquito larvicide BinAB at pH 10
分子名称: LARVICIDAL TOXIN PROTEIN, SODIUM ION, TOXIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2015-11-26
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
5G37
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BU of 5g37 by Molmil
MR structure of the binary mosquito larvicide BinAB at pH 5
分子名称: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2016-04-24
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
3Q2X
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BU of 3q2x by Molmil
Structure of an amyloid forming peptide NKGAII (residues 27-32) from amyloid beta
分子名称: Amyloid beta A4 protein
著者Soriaga, A.B, Sawaya, M.R, Eisenberg, D.
登録日2010-12-20
公開日2011-10-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Molecular basis for amyloid-beta polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PZZ
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BU of 3pzz by Molmil
Structure of an amyloid forming peptide GAIIGL (29-34) from amyloid beta
分子名称: Amyloid beta A4 protein
著者Soriaga, A.B, Laganowsky, A.L, Sawaya, M.R, Eisenberg, D.
登録日2010-12-14
公開日2011-10-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Molecular basis for amyloid-beta polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
4A73
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BU of 4a73 by Molmil
SINGLE POINT MUTANT OF THERMUS THERMOPHILUS LACTATE DEHYDROGENASE
分子名称: L-LACTATE DEHYDROGENASE
著者De Mendoza-Barbera, E, Vellieux, F.M.D.
登録日2011-11-10
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Sampling the Conformational Energy Landscape of a Hyperthermophilic Protein by Engineering Key Substitutions
Mol.Biol.Evol., 29, 2012
2Y3L
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BU of 2y3l by Molmil
Structure of segment MVGGVVIA from the amyloid-beta peptide (Ab, residues 35-42), alternate polymorph 2
分子名称: AMYLOID BETA A4 PROTEIN
著者Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D.
登録日2010-12-21
公開日2011-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
2Y3K
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BU of 2y3k by Molmil
Structure of segment MVGGVVIA from the amyloid-beta peptide (Ab, residues 35-42), alternate polymorph 1
分子名称: AMYLOID BETA A4 PROTEIN
著者Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D.
登録日2010-12-21
公開日2011-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
2Y3J
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BU of 2y3j by Molmil
Structure of segment AIIGLM from the amyloid-beta peptide (Ab, residues 30-35)
分子名称: AMYLOID BETA A4 PROTEIN
著者Colletier, J.P, Laganowsky, A, Sawaya, M.R, Eisenberg, D.
登録日2010-12-21
公開日2011-11-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
5FVI
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BU of 5fvi by Molmil
Structure of IrisFP in mineral grease at 100 K.
分子名称: Green to red photoconvertible GFP-like protein EosFP, SULFATE ION
著者Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M.
登録日2016-02-07
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp.
J.Phys.Chem.Lett., 7, 2016
6R8N
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BU of 6r8n by Molmil
STRUCTURE DETERMINATION OF THE TETRAHEDRAL AMINOPEPTIDASE TET2 FROM P. HORIKOSHII BY USE OF COMBINED SOLID-STATE NMR, SOLUTION-STATE NMR AND EM DATA 4.1 A, FOLLOWED BY REAL_SPACE_REFINEMENT AT 4.1 A
分子名称: Tetrahedral aminopeptidase, ZINC ION
著者Colletier, J.-P, Gauto, D, Estrozi, L, Favier, A, Effantin, G, Schoehn, G, Boisbouvier, J, Schanda, P.
登録日2019-04-02
公開日2019-08-14
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (4.1 Å), SOLUTION NMR
主引用文献Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex.
Nat Commun, 10, 2019

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