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4WG7
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BU of 4wg7 by Molmil
Room-temperature crystal structure of lysozyme determined by serial synchrotron crystallography using a nano focused beam.
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Coquelle, N, Brewster, A.S, Kappe, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P.
Deposit date:2014-09-18
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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)
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weimhausen, B, Sauter, N.K, Burghammer, M, Colletier, J.P.
Deposit date:2014-09-17
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
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
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)
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
3U7G
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BU of 3u7g by Molmil
Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTAp)
Descriptor: Bifunctional polynucleotide phosphatase/kinase, DNA, GLYCEROL, ...
Authors:Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M.
Deposit date:2011-10-13
Release date:2011-12-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U7E
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BU of 3u7e by Molmil
Crystal structure of mPNKP catalytic fragment (D170A)
Descriptor: Bifunctional polynucleotide phosphatase/kinase, GLYCEROL, MAGNESIUM ION, ...
Authors:Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M.
Deposit date:2011-10-13
Release date:2011-12-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U7F
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BU of 3u7f by Molmil
Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTCp)
Descriptor: Bifunctional polynucleotide phosphatase/kinase, DNA, GLYCEROL, ...
Authors:Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M.
Deposit date:2011-10-13
Release date:2011-12-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U7H
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BU of 3u7h by Molmil
Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTTp)
Descriptor: Bifunctional polynucleotide phosphatase/kinase, DNA, GLYCEROL, ...
Authors:Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M.
Deposit date:2011-10-13
Release date:2011-12-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
2V7P
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BU of 2v7p by Molmil
Crystal structure of lactate dehydrogenase from Thermus Thermophilus HB8 (Holo form)
Descriptor: L-LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID
Authors:Coquelle, N, Fioravanti, E, Weik, M, Vellieux, F.
Deposit date:2007-07-31
Release date:2007-09-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Activity, stability and structural studies of lactate dehydrogenases adapted to extreme thermal environments.
J. Mol. Biol., 374, 2007
2V6M
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BU of 2v6m by Molmil
Crystal structure of lactate dehydrogenase from Thermus Thermophilus HB8 (Apo form)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, L-LACTATE DEHYDROGENASE
Authors:Coquelle, N, Fioravanti, E, Weik, M, Vellieux, F.
Deposit date:2007-07-19
Release date:2007-09-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Activity, stability and structural studies of lactate dehydrogenases adapted to extreme thermal environments.
J. Mol. Biol., 374, 2007
2V65
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BU of 2v65 by Molmil
Apo LDH from the psychrophile C. gunnari
Descriptor: L-LACTATE DEHYDROGENASE A CHAIN
Authors:Coquelle, N, Madern, D, Vellieux, F.
Deposit date:2007-07-13
Release date:2007-09-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Activity, Stability and Structural Studies of Lactate Dehydrogenases Adapted to Extreme Thermal Environments.
J.Mol.Biol., 374, 2007
2V6B
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BU of 2v6b by Molmil
Crystal structure of lactate dehydrogenase from Deinococcus Radiodurans (apo form)
Descriptor: L-LACTATE DEHYDROGENASE
Authors:Coquelle, N, Fioravanti, E, Weik, M, Vellieux, F.
Deposit date:2007-07-16
Release date:2007-09-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Activity, stability and structural studies of lactate dehydrogenases adapted to extreme thermal environments.
J. Mol. Biol., 374, 2007
3PXE
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BU of 3pxe by Molmil
Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: E1836K
Descriptor: Breast cancer type 1 susceptibility protein, phospho peptide
Authors:Coquelle, N, Green, R, Glover, J.N.M.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Impact of BRCA1 BRCT Domain Missense Substitutions on Phosphopeptide Recognition.
Biochemistry, 50, 2011
3PXB
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BU of 3pxb by Molmil
Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: T1700A
Descriptor: Breast cancer type 1 susceptibility protein, NICKEL (II) ION, SULFATE ION
Authors:Coquelle, N, Green, R, Glover, J.N.M.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Impact of BRCA1 BRCT Domain Missense Substitutions on Phosphopeptide Recognition.
Biochemistry, 50, 2011
3PXC
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BU of 3pxc by Molmil
Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: R1699Q
Descriptor: Breast cancer type 1 susceptibility protein, NICKEL (II) ION, SULFATE ION
Authors:Coquelle, N, Green, R, Glover, J.N.M.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Impact of BRCA1 BRCT Domain Missense Substitutions on Phosphopeptide Recognition.
Biochemistry, 50, 2011
3PXD
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BU of 3pxd by Molmil
Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: R1835P
Descriptor: Breast cancer type 1 susceptibility protein, NICKEL (II) ION, SULFATE ION
Authors:Coquelle, N, Green, R, Glover, J.N.M.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Impact of BRCA1 BRCT Domain Missense Substitutions on Phosphopeptide Recognition.
Biochemistry, 50, 2011
3PXA
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BU of 3pxa by Molmil
Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: G1656D
Descriptor: Breast cancer type 1 susceptibility protein, NICKEL (II) ION, SULFATE ION
Authors:Coquelle, N, Green, R, Glover, J.N.M.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Impact of BRCA1 BRCT Domain Missense Substitutions on Phosphopeptide Recognition.
Biochemistry, 50, 2011
3NEP
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BU of 3nep by Molmil
1.55A resolution structure of malate dehydrogenase from Salinibacter ruber
Descriptor: Malate dehydrogenase
Authors:Coquelle, N, Madern, D.
Deposit date:2010-06-09
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Gradual adaptive changes of a protein facing high salt concentrations.
J.Mol.Biol., 404, 2010
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.
Descriptor: Green fluorescent protein
Authors: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.
Deposit date:2017-06-12
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
5O8A
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BU of 5o8a by Molmil
Crystal Structure of rsEGFP2 in the non-fluorescent off-state determined by SFX
Descriptor: Green fluorescent protein
Authors: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.
Deposit date:2017-06-12
Release date:2017-09-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
5O89
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BU of 5o89 by Molmil
Crystal Structure of rsEGFP2 in the fluorescent on-state determined by SFX
Descriptor: Green fluorescent protein
Authors: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.
Deposit date:2017-06-12
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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.
Descriptor: Green fluorescent protein
Authors: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.
Deposit date:2017-06-12
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography.
Nat Chem, 10, 2018
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
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, Gobec, S.
Deposit date:2014-06-07
Release date:2014-10-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor.
J.Med.Chem., 57, 2014
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
Descriptor: 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, ...
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 (1.86 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
6H13
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BU of 6h13 by Molmil
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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