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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
6VVF
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BU of 6vvf by Molmil
Scabin (Y129H) toxin from Streptomyces scabies
Descriptor: Scabin
Authors:Heney, K, Lyons, B, Merrill, A.R.
Deposit date:2020-02-17
Release date:2021-01-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mapping the DNA-Binding Motif of Scabin Toxin, a Guanine Modifying Enzyme from Streptomyces scabies .
Toxins, 13, 2021
3UNW
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BU of 3unw by Molmil
Crystal Structure of Human GAC in Complex with Glutamate
Descriptor: GLUTAMIC ACID, Glutaminase kidney isoform, mitochondrial
Authors:DeLaBarre, B, Gross, S, Cheng, F, Gao, Y, Jha, A, Jiang, F, Song, J.J, Wie, W, Hurov, J.
Deposit date:2011-11-16
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Full-length human glutaminase in complex with an allosteric inhibitor.
Biochemistry, 50, 2011
6W1E
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BU of 6w1e by Molmil
Crystal structure of Streptococcus thermophilus SHP pheromone receptor Rgg3
Descriptor: Positive transcriptional regulator MutR family, SULFATE ION
Authors:Neiditch, M.B, Capodagli, G.C.
Deposit date:2020-03-04
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Structure-function studies of Rgg binding to pheromones and target promoters reveal a model of transcription factor interplay.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VZA
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BU of 6vza by Molmil
Crystal structure of cytochrome P450 NasF5053 Q65I-A86G mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state
Descriptor: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, CHLORIDE ION, ...
Authors:Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B.
Deposit date:2020-02-28
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
5O5S
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BU of 5o5s by Molmil
X-ray crystal structure of the RapZ C-terminal domain from Escherichia coli
Descriptor: MALONATE ION, RNase adapter protein RapZ
Authors:Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F.
Deposit date:2017-06-02
Release date:2017-08-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism.
Nucleic Acids Res., 45, 2017
6VVB
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BU of 6vvb by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10)
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Dihydrofolate reductase, ...
Authors:Tyrakis, P, Dias, M.V.B.
Deposit date:2020-02-17
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
5OES
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BU of 5oes by Molmil
The structure of a glutathione synthetase (StGSS1) from Solanum tuberosum in ADP and y-EC bound closed conformation.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GAMMA-GLUTAMYLCYSTEINE, Glutathione synthetase, ...
Authors:Lilley, C.J, Maqbool, A, Wu, D, Yusup, H.B, Jones, L.M, Birch, P.R.J, Banfield, M.J, Urwin, P.E, Eves-van den Akker, S.
Deposit date:2017-07-10
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
PLoS Genet., 14, 2018
6VRN
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BU of 6vrn by Molmil
T cell receptor-p53-HLA-A2 complex
Descriptor: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, MHC class I antigen, ...
Authors:Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A.
Deposit date:2020-02-08
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen.
Nat Commun, 11, 2020
3UX1
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BU of 3ux1 by Molmil
Structural Characterization of Adeno-Associated Virus Serotype 9
Descriptor: Capsid protein VP1
Authors:DiMattia, M.A, Nam, H.-J, Van Vliet, K, Mitchell, M, McCall, A, Bennett, A, Gurda, B, McKenna, R, Potter, M, Sakai, Y, Byrne, B.J, Muzyczka, N, Aslanidi, G, Zolotukhin, S, Olson, N, Sinkovitis, R, Baker, T.S, Agbandje-McKenna, M.
Deposit date:2011-12-03
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insight into the unique properties of adeno-associated virus serotype 9.
J.Virol., 86, 2012
8ZC5
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BU of 8zc5 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
4UD8
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BU of 4ud8 by Molmil
AtBBE15
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Daniel, B, Steiner, B, Pavkov-Keller, T, Dordic, A, Gutmann, A, Sensen, C.W, Nidetzky, B, van der Graaff, E, Wallner, S, Gruber, K, Macheroux, P.
Deposit date:2014-12-09
Release date:2015-06-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.088 Å)
Cite:Oxidation of Monolignols by Members of the Berberine Bridge Enzyme Family Suggests a Role in Cell Wall Metabolism.
J.Biol.Chem., 290, 2015
5HPL
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BU of 5hpl by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: Rsp5 and UbV R5.4
Descriptor: Rsp5, Ubiquitin variant R5.4
Authors:Wu, K.-P, Kamadurai, H.B, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
4GAA
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BU of 4gaa by Molmil
Structure of Leukotriene A4 hydrolase from Xenopus laevis complexed with inhibitor bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, MGC78867 protein, ZINC ION
Authors:Stsiapanava, A, Kumar, R.B, Haeggstrom, J.Z, Rinaldo-Matthis, A.
Deposit date:2012-07-25
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Product formation controlled by substrate dynamics in leukotriene A4 hydrolase.
Biochim.Biophys.Acta, 1844, 2014
4FRX
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BU of 4frx by Molmil
Crystal Structure of Pseudomonas aeruginosa OccK8 (OprE)
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Anaerobically-induced outer membrane porin OprE
Authors:Eren, E, van den Berg, B.
Deposit date:2012-06-26
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of OccK Subfamily Proteins
To be Published
3UO9
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BU of 3uo9 by Molmil
Crystal Structure of Human GAC in Complex with Glutamate and BPTES
Descriptor: GLYCEROL, Glutaminase kidney isoform, mitochondrial, ...
Authors:DeLaBarre, B, Gross, S, Cheng, F, Gao, Y, Jha, A, Jiang, F, Song, J.J, Wei, W, Hurov, J.B.
Deposit date:2011-11-16
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Full-length human glutaminase in complex with an allosteric inhibitor.
Biochemistry, 50, 2011
4W4Z
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BU of 4w4z by Molmil
Structure of the EphA4 LBD in complex with peptide
Descriptor: APY-bAla8.am peptide, Ephrin type-A receptor 4, GLYCEROL, ...
Authors:Lechtenberg, B.C, Mace, P.D, Riedl, S.J.
Deposit date:2014-08-15
Release date:2014-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Development and Structural Analysis of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor.
Acs Chem.Biol., 9, 2014
3V4S
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BU of 3v4s by Molmil
Crystal Structure of ADP-ATP complex of purK: N5-carboxyaminoimidazole ribonucleotide synthetase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ...
Authors:Fung, L.W, Tuntland, M.L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2011-12-15
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Elucidation of the bicarbonate binding site and insights into the carboxylation mechanism of (N(5))-carboxyaminoimidazole ribonucleotide synthase (PurK) from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 70, 2014
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
5O8I
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BU of 5o8i by Molmil
Crystal structure of human histidine triad nucleotide-binding protein 1 (hHINT1) crystallized at P212121 space group, and refined to 1.27 A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Dolot, R.M, Seda, A, Nawrot, B.C.
Deposit date:2017-06-13
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Differences in crystal packing as the key factor for stabilization of the N-terminal fragment of hHINT1 protein
To Be Published
8ZC6
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BU of 8zc6 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (6.85 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
6VPH
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BU of 6vph by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 modified with cacodylate and in complex with AMP-PNP
Descriptor: CHLORIDE ION, DITHIANE DIOL, GLYCEROL, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
6VVC
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BU of 6vvc by Molmil
Legionella pneumophila Lpg2603 kinase
Descriptor: 1,2-ETHANEDIOL, Dot/Icm T4SS effector
Authors:Tomchick, D.R, Tagliabracci, V.S, Park, B.C.
Deposit date:2020-02-17
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:ALegionellaeffector kinase is activated by host inositol hexakisphosphate.
J.Biol.Chem., 295, 2020
7SQH
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BU of 7sqh by Molmil
Structure of the human proton-activated chloride channel ASOR in desensitized conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Proton-activated chloride channel
Authors:Long, S.B, Wang, C, Delgado, B.
Deposit date:2021-11-05
Release date:2022-02-23
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Gating choreography and mechanism of the human proton-activated chloride channel ASOR.
Sci Adv, 8, 2022
7SQF
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BU of 7sqf by Molmil
Structure of the human proton-activated chloride channel ASOR in activated conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Proton-activated chloride channel
Authors:Long, S.B, Wang, C, Delgado, B.
Deposit date:2021-11-05
Release date:2022-02-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Gating choreography and mechanism of the human proton-activated chloride channel ASOR.
Sci Adv, 8, 2022

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