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1NX9
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BU of 1nx9 by Molmil
Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin
Descriptor: (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, GLYCEROL, alpha-amino acid ester hydrolase
Authors:Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Janssen, D.B, Dijkstra, B.W.
Deposit date:2003-02-10
Release date:2004-03-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acetobacter turbidans {alpha}-Amino Acid Ester Hydrolase: HOW A SINGLE MUTATION IMPROVES AN ANTIBIOTIC-PRODUCING ENZYME.
J.Biol.Chem., 281, 2006
1RYY
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BU of 1ryy by Molmil
Acetobacter turbidans alpha-amino acid ester hydrolase Y206A mutant
Descriptor: alpha-amino acid ester hydrolase
Authors:Barends, T.R.M.
Deposit date:2003-12-23
Release date:2005-02-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Acetobacter turbidans {alpha}-Amino Acid Ester Hydrolase: HOW A SINGLE MUTATION IMPROVES AN ANTIBIOTIC-PRODUCING ENZYME.
J.Biol.Chem., 281, 2006
1TZ7
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BU of 1tz7 by Molmil
Aquifex aeolicus amylomaltase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-alpha-glucanotransferase
Authors:Barends, T.R.M, Korf, H, Kaper, T, van der Maarel, M.J.E.C, Dijkhuizen, L, Dijkstra, B.W.
Deposit date:2004-07-09
Release date:2005-08-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural influences on product specificity in amylomaltase from Aquifex aeolicus
TO BE PUBLISHED
7AET
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BU of 7aet by Molmil
Pressure wave-exposed human hemoglobin: probe only data (3500 indexed images)
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Barends, T.R.M, Schlichting, I.
Deposit date:2020-09-18
Release date:2021-02-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Nat Commun, 12, 2021
7AEU
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BU of 7aeu by Molmil
Pressure wave-exposed human hemoglobin: probe only data (5500 indexed images)
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Barends, T.R.M, Schlichting, I.
Deposit date:2020-09-18
Release date:2021-02-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Nat Commun, 12, 2021
7AEV
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BU of 7aev by Molmil
Pressure wave-exposed human hemoglobin: pump/probe data (3500 indexed images)
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Barends, T.R.M, Schlichting, I.
Deposit date:2020-09-18
Release date:2021-02-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Nat Commun, 12, 2021
3L6W
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BU of 3l6w by Molmil
Structure of the collar functional unit (KLH1-H) of keyhole limpet hemocyanin
Descriptor: Hemocyanin 1
Authors:Jaenicke, E, Buechler, K, Markl, J, Decker, H, Barends, T.R.M.
Deposit date:2009-12-27
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4 Å)
Cite:The Cupredoxin-like Domains in Hemocyanins.
Biochem.J., 2009
6HAL
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BU of 6hal by Molmil
Human carbonmonoxy hemoglobin SFX dataset
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I.
Deposit date:2018-08-07
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
6HIF
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BU of 6hif by Molmil
Kuenenia stuttgartiensis hydrazine dehydrogenase complex
Descriptor: GLYCEROL, HEME C, Hydrazine dehydrogenase, ...
Authors:Akram, M, Dietl, A, Mersdorf, U, Prinz, S, Maalcke, W, Keltjens, J, Ferousi, C, de Almeida, N.M, Reimann, J, Kartal, B, Jetten, M.S.M, Parey, K, Barends, T.R.M.
Deposit date:2018-08-29
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A 192-heme electron transfer network in the hydrazine dehydrogenase complex.
Sci Adv, 5, 2019
9G2J
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BU of 9g2j by Molmil
Thaumatin structure determined using SoS chip at ID29 (serial crystallography)
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Doak, R.B, Shoeman, R.L, Gorel, A, Barends, T.R.M, Schlichting, I.
Deposit date:2024-07-11
Release date:2024-12-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Sheet-on-sheet fixed target data collection devices for serial crystallography at synchrotron and XFEL sources.
J.Appl.Crystallogr., 57, 2024
9FBK
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BU of 9fbk by Molmil
Diheme cytochrome c Kustd1711 from Kuenenia stuttgartiensis, without glycerol cryoprotectant
Descriptor: CALCIUM ION, HEME C, Hypothetical (Diheme) protein
Authors:Hauser, D, Barends, T.R.M.
Deposit date:2024-05-14
Release date:2024-12-25
Last modified:2025-02-05
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Redox potential tuning by calcium ions in a novel c-type cytochrome from an anammox organism.
J.Biol.Chem., 301, 2024
6T39
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BU of 6t39 by Molmil
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
6T3A
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BU of 6t3a by Molmil
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
8AYB
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BU of 8ayb by Molmil
anammox-specific FabZ from Scalindua brodae
Descriptor: Beta-hydroxyacyl-(Acyl-carrier-protein) dehydratase
Authors:Dietl, A, Barends, T.R.M.
Deposit date:2022-09-02
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of an unusual 3-hydroxyacyl dehydratase (FabZ) from a ladderane-producing organism with an unexpected substrate preference.
J.Biol.Chem., 299, 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
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
2PI8
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BU of 2pi8 by Molmil
Crystal structure of E. coli MltA with bound chitohexaose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Membrane-bound lytic murein transglycosylase A, PHOSPHATE ION
Authors:van Straaten, K.E, Barends, T.R.M, Dijkstra, B.W, Thunnissen, A.M.W.H.
Deposit date:2007-04-13
Release date:2007-05-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of Escherichia coli Lytic transglycosylase MltA with bound chitohexaose: implications for peptidoglycan binding and cleavage
J.Biol.Chem., 282, 2007
4LJ8
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BU of 4lj8 by Molmil
ClpB NBD2 R621Q from T. thermophilus in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB
Authors:Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J.
Deposit date:2013-07-04
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
4LJ4
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BU of 4lj4 by Molmil
ClpB NBD2 from T. thermophilus, nucleotide-free
Descriptor: Chaperone protein ClpB, PHOSPHATE ION
Authors:Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J.
Deposit date:2013-07-04
Release date:2014-02-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
4LJ9
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BU of 4lj9 by Molmil
ClpB NBD2 R621Q from T. thermophilus in complex with AMPPCP
Descriptor: Chaperone protein ClpB, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J.
Deposit date:2013-07-04
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
4LJ7
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BU of 4lj7 by Molmil
ClpB NBD2 K601Q from T. thermophilus in complex with MANT-dADP
Descriptor: 2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHATE ION
Authors:Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J.
Deposit date:2013-07-04
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
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
4LJ6
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BU of 4lj6 by Molmil
ClpB NBD2 from T. thermophilus in complex with AMPPCP
Descriptor: Chaperone protein ClpB, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J.
Deposit date:2013-07-04
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
4LJA
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BU of 4lja by Molmil
ClpB NBD2 R621Q from T. thermophilus in complex with AMPPCP and guanidinium chloride
Descriptor: Chaperone protein ClpB, GUANIDINE, MAGNESIUM ION, ...
Authors:Zeymer, C, Barends, T.R.M, Werbeck, N.D, Schlichting, I, Reinstein, J.
Deposit date:2013-07-04
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Elements in nucleotide sensing and hydrolysis of the AAA+ disaggregation machine ClpB: a structure-based mechanistic dissection of a molecular motor
Acta Crystallogr.,Sect.D, 70, 2014
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

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