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4XII
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BU of 4xii by Molmil
X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
分子名称: 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, ...
著者Knez, D, Boris, B, Coquelle, N, Sosic, I, Sink, R, Brazzolotto, X, Mravljak, J, Colletier, J.P, Gobec, S.
登録日2015-01-07
公開日2015-07-08
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents.
Bioorg.Med.Chem., 23, 2015
4XOL
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BU of 4xol by Molmil
Observing the overall rocking motion of a protein in a crystal - Cubic Ubiquitin crystals.
分子名称: Ubiquitin, ZINC ION
著者Coquelle, N, Peixiang, M, Schanda, P, Colletier, J.P.
登録日2015-01-16
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Observing the overall rocking motion of a protein in a crystal.
Nat Commun, 6, 2015
4XOF
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BU of 4xof by Molmil
Observing the overall rocking motion of a protein in a crystal - Orthorhombic Ubiquitin crystals without Zinc.
分子名称: Ubiquitin
著者Coquelle, N, Ma, P, Schanda, P, Colletier, J.P.
登録日2015-01-16
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Observing the overall rocking motion of a protein in a crystal.
Nat Commun, 6, 2015
4WL7
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BU of 4wl7 by Molmil
Room-temperature crystal structure of lysozyme determined by serial synchrotron crystallography using a micro focused beam (Conventional resolution cut-off)
分子名称: CHLORIDE ION, Lysozyme C
著者Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P.
登録日2014-10-06
公開日2015-05-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
4WL6
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BU of 4wl6 by Molmil
Raster-scanning protein crystallography using micro and nano-focused synchrotron beams
分子名称: CHLORIDE ION, Lysozyme C
著者Coquelle, N, Kapp, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P.
登録日2014-10-06
公開日2015-05-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
4WG1
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BU of 4wg1 by Molmil
Room temperature crystal structure of lysozyme determined by serial synchrotron crystallography (micro focused beam - crystFEL)
分子名称: CHLORIDE ION, Lysozyme C
著者Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weimhausen, B, Sauter, N.K, Burghammer, M, Colletier, J.P.
登録日2014-09-17
公開日2015-05-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
7O7H
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BU of 7o7h by Molmil
Crystal structure of rsEGFP2 mutant V151L in the non-fluorescent off-state determined by synchrotron radiation at 100K
分子名称: Green fluorescent protein
著者Woodhouse, J, Adam, V, Hadjidemetriou, K, Colletier, J.P, Weik, M.
登録日2021-04-13
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
8C76
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BU of 8c76 by Molmil
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
分子名称: COBALAMIN, Probable transcriptional regulator
著者Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M.
登録日2023-01-12
公開日2023-08-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
8C73
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BU of 8c73 by Molmil
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
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, Probable transcriptional regulator
著者Rios-Santacruz, R, Colletier, J.P, Schiro, G, Weik, M.
登録日2023-01-12
公開日2023-08-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Redox driven B 12 -ligand switch drives CarH photoresponse.
Nat Commun, 14, 2023
6ZH7
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BU of 6zh7 by Molmil
Crystal structure of fatty acid photodecarboxylase in the dark state determined by serial femtosecond crystallography at room temperature
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ...
著者Hadjidemetriou, K, Coquelle, N, Weik, M, Schlichting, I, Barends, T.R.M, Colletier, J.P.
登録日2020-06-21
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
4TPK
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BU of 4tpk by Molmil
Human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-methoxyethyl)-2-naphthamide
分子名称: 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, ...
著者Coquelle, N, Brus, B, Colletier, J.P, Gobec, S.
登録日2014-06-07
公開日2014-10-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor.
J.Med.Chem., 57, 2014
6RUA
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BU of 6rua by Molmil
Structure of recombinant human butyrylcholinesterase in complex with a coumarin-based fluorescent probe linked to sulfonamide type inhibitor.
分子名称: 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, ...
著者Coquelle, N, Knez, D, Brus, B, Gobec, S, Colletier, J.P.
登録日2019-05-27
公開日2020-01-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
J Enzyme Inhib Med Chem, 35, 2020
6T19
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BU of 6t19 by Molmil
Structure of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals soaked with DTT at pH 7
分子名称: SODIUM ION, Type-1Aa cytolytic delta-endotoxin
著者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.
登録日2019-10-03
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
6T1A
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BU of 6t1a by Molmil
Structure of mosquitocidal Cyt1Aa protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 10
分子名称: CALCIUM ION, Type-1Aa cytolytic delta-endotoxin
著者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.
登録日2019-10-03
公開日2020-10-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
6T14
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BU of 6t14 by Molmil
Native structure of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 7
分子名称: SODIUM ION, Type-1Aa cytolytic delta-endotoxin
著者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.
登録日2019-10-03
公開日2020-10-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
6T1C
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BU of 6t1c by Molmil
Structure of the C7S mutant of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 7
分子名称: SODIUM ION, Type-1Aa cytolytic delta-endotoxin
著者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.
登録日2019-10-03
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade.
Nat Commun, 11, 2020
5O8B
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BU of 5o8b by Molmil
Difference-refined excited-state structure of rsEGFP2 1ps following 400nm-laser irradiation of the off-state.
分子名称: Green fluorescent protein
著者Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2017-06-12
公開日2018-01-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
5NXN
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BU of 5nxn by Molmil
Structure of a L5-deletion mutant of Providencia stuartii Omp-Pst1
分子名称: CALCIUM ION, Porin 1
著者El Khatib, M, Colletier, J.P.
登録日2017-05-10
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Porin self-association enables cell-to-cell contact in
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5O89
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BU of 5o89 by Molmil
Crystal Structure of rsEGFP2 in the fluorescent on-state determined by SFX
分子名称: Green fluorescent protein
著者Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2017-06-12
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
5O8C
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BU of 5o8c by Molmil
Composite structure of rsEGFP2 1ps following 400nm-laser irradiation of the off-state.
分子名称: Green fluorescent protein
著者Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2017-06-12
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
5NN0
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BU of 5nn0 by Molmil
Crystal structure of huBChE with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-(dimethylamino)ethyl)-2-naphthamide.
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Coquelle, N, Brus, B, Colletier, J.P.
登録日2017-04-07
公開日2018-03-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity.
J. Med. Chem., 61, 2018
5O8A
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BU of 5o8a by Molmil
Crystal Structure of rsEGFP2 in the non-fluorescent off-state determined by SFX
分子名称: Green fluorescent protein
著者Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M.
登録日2017-06-12
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
5N9H
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BU of 5n9h by Molmil
STRUCTURE OF 283-LGNY-286, THE STERIC ZIPPER THAT SUPPORTS THE SELF-ASSOCIATION OF P. STUARTII OMP-PST2 INTO DIMERS OF TRIMERS
分子名称: Porin, SULFATE ION
著者Nasrallah, C, Colletier, J.P.
登録日2017-02-24
公開日2018-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.997 Å)
主引用文献Porin self-association enables cell-to-cell contact in
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5DYY
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BU of 5dyy by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)naphthalene-2-sulfonamide
分子名称: 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, ...
著者Coquelle, N, Brus, B, Colletier, J.P.
登録日2015-09-25
公開日2017-01-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
5DYW
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BU of 5dyw by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide
分子名称: 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, ...
著者Coquelle, N, Brus, B, Colletier, J.P.
登録日2015-09-25
公開日2017-01-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016

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