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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
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
Descriptor: CALCIUM ION, Concanavalin V, MAGNESIUM ION
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:2018-06-22
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Concanavalin B
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:2018-06-22
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
5MG1
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BU of 5mg1 by Molmil
Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
Authors:Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M.
Deposit date:2016-11-20
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
6DHL
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BU of 6dhl by Molmil
Bovine glutamate dehydrogenase complexed with epicatechin-3-gallate (ECG)
Descriptor: (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, Glutamate dehydrogenase 1, mitochondrial
Authors:Smith, T.J.
Deposit date:2018-05-20
Release date:2018-07-25
Method:X-RAY DIFFRACTION (3.624 Å)
Cite:Green tea polyphenols control dysregulated glutamate dehydrogenase in transgenic mice by hijacking the ADP activation site.
J. Biol. Chem., 286, 2011
6DHD
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BU of 6dhd by Molmil
Bovine glutamate dehydrogenase complexed with NADH, GTP, glutamate
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Smith, T.J.
Deposit date:2018-05-19
Release date:2018-07-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of bovine glutamate dehydrogenase complexes elucidate the mechanism of purine regulation.
J. Mol. Biol., 307, 2001
6DHQ
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BU of 6dhq by Molmil
Bovine glutamate dehydrogenase complexed with NADPH, glutamate, and GTP
Descriptor: GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ...
Authors:Smith, T.J.
Deposit date:2018-05-20
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of bovine glutamate dehydrogenase complexes elucidate the mechanism of purine regulation.
J. Mol. Biol., 307, 2001
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
Deposit date:2018-02-23
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76000106 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
6GTH
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BU of 6gth by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H.
Deposit date:2018-06-18
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
5MG0
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BU of 5mg0 by Molmil
Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography
Descriptor: 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ...
Authors:Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M.
Deposit date:2016-11-20
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers.
Nat. Methods, 14, 2017
3LX0
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BU of 3lx0 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS D21N at cryogenic temperature
Descriptor: PHOSPHATE ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Doctrow, B.M, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A.
Deposit date:2010-02-24
Release date:2011-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cooperative Proton Binding in a Cluster of Carboxylic Residues
To be Published
3NHH
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BU of 3nhh by Molmil
Crystal structure of Staphylococcal nuclease variant V23E-L36K at cryogenic temperature
Descriptor: CALCIUM ION, Nuclease A, THYMIDINE-3',5'-DIPHOSPHATE
Authors:Robinson, A.C, Schlessman, J.L, Garcia-Moreno, E.B.
Deposit date:2010-06-14
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and thermodynamic consequences of burial of an artificial ion pair in the hydrophobic interior of a protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3D6C
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BU of 3d6c by Molmil
Crystal structure of Staphylococcal nuclease variant PHS L38E at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Harms, M.J, Schlessman, J.L, Sue, G.R, Garcia-Moreno, E.B.
Deposit date:2008-05-19
Release date:2008-11-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:The pK(a) values of acidic and basic residues buried at the same internal location in a protein are governed by different factors.
J.Mol.Biol., 389, 2009
5BWZ
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BU of 5bwz by Molmil
Crystal structure of S39E HDAC8 in complex with Droxinostat
Descriptor: Droxinostat, GLYCEROL, Histone deacetylase 8, ...
Authors:Decroos, C, Christianson, D.W.
Deposit date:2015-06-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Phosphorylation of Histone Deacetylase 8: Structural and Mechanistic Analysis of the Phosphomimetic S39E Mutant.
Biochemistry, 58, 2019
6DHK
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BU of 6dhk by Molmil
Bovine glutamate dehydrogenase complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutamate dehydrogenase 1, mitochondrial
Authors:Smith, T.J.
Deposit date:2018-05-20
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation.
Biochemistry, 42, 2003
6DQG
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BU of 6dqg by Molmil
Human glutamate dehydrogenase, H454Y mutant
Descriptor: Glutamate dehydrogenase 1, mitochondrial, PHOSPHATE ION
Authors:Smith, T.J.
Deposit date:2018-06-10
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Glutamate dehydrogenase: Structure of a hyperinsulinism mutant, corrections to the atomic model, and insights into a regulatory site.
Proteins, 87, 2019
4MSW
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BU of 4msw by Molmil
Y78 ester mutant of KcsA in high K+
Descriptor: ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, DIACYL GLYCEROL, ...
Authors:Matulef, K, Valiyaveetil, F.I.
Deposit date:2013-09-18
Release date:2013-10-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Using protein backbone mutagenesis to dissect the link between ion occupancy and C-type inactivation in K+ channels.
Proc.Natl.Acad.Sci.USA, 110, 2013
3QOL
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BU of 3qol by Molmil
Crystal structure of Staphylococcal nuclease variant D+PHS/V23E at pH 6 determined at 100 K
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A, Schlessman, J.L, Garcia-Moreno, E.B.
Deposit date:2011-02-10
Release date:2011-03-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and thermodynamic consequences of burial of an artificial ion pair in the hydrophobic interior of a protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3QOJ
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BU of 3qoj by Molmil
Cryogenic structure of Staphylococcal nuclease variant D+PHS/V23K
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Robinson, A.C, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2011-02-10
Release date:2011-03-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Determinants of pKa values of internal ionizable groups: properties of ion pairs in the protein core
To be Published
2MRP
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BU of 2mrp by Molmil
NMR solution structure of the Ubiquitin like domain (UBL) of DNA-damage-inducible 1 protein (Ddi1)
Descriptor: DNA damage-inducible protein 1
Authors:Nowicka, U, Fushman, D, Chen, T.
Deposit date:2014-07-14
Release date:2015-03-11
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:DNA-Damage-Inducible 1 Protein (Ddi1) Contains an Uncharacteristic Ubiquitin-like Domain that Binds Ubiquitin.
Structure, 23, 2015
2MR9
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BU of 2mr9 by Molmil
NMR structure of UBA domain of DNA-damage-inducible 1 protein (Ddi1)
Descriptor: DNA damage-inducible protein 1
Authors:Zhang, D, Fushman, D.
Deposit date:2014-07-02
Release date:2015-02-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:DNA-Damage-Inducible 1 Protein (Ddi1) Contains an Uncharacteristic Ubiquitin-like Domain that Binds Ubiquitin.
Structure, 23, 2015
2MWS
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BU of 2mws by Molmil
Structure of the complex of ubiquitin and the ubiquitin-like (UBL) domain of Ddi1
Descriptor: DNA damage-inducible protein 1, Ubiquitin
Authors:Fushman, D, Nowicka, U, Walker, O.
Deposit date:2014-11-23
Release date:2015-03-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:DNA-Damage-Inducible 1 Protein (Ddi1) Contains an Uncharacteristic Ubiquitin-like Domain that Binds Ubiquitin.
Structure, 23, 2015
2MRO
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BU of 2mro by Molmil
Structure of the complex of ubiquitin and the UBA domain from DNA-damage-inducible 1 protein (Ddi1)
Descriptor: DNA damage-inducible protein 1, Polyubiquitin-B
Authors:Zhang, D, Fushman, D.
Deposit date:2014-07-14
Release date:2015-02-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:DNA-Damage-Inducible 1 Protein (Ddi1) Contains an Uncharacteristic Ubiquitin-like Domain that Binds Ubiquitin.
Structure, 23, 2015
7KKF
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BU of 7kkf by Molmil
Crystal Structure of S. cerevisiae Ess1
Descriptor: Peptidyl-prolyl cis-trans isomerase ESS1
Authors:Namitz, K.E.W, Alicea-Velazquez, N.L, Cosgrove, M.S, Hanes, S.D.
Deposit date:2020-10-27
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure analysis suggests Ess1 isomerizes the carboxy-terminal domain of RNA polymerase II via a bivalent anchoring mechanism.
Commun Biol, 4, 2021
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