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5NSL
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BU of 5nsl by Molmil
Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructose and hydroxytyrosol
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:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2017-04-26
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fructosylation of Hydroxytyrosol by the Beta-Fructofuranosidase from Xanthophyllomyces dendrorhous: Insights into the Molecular Basis of the Enzyme Specificity
Chemcatchem, 2018
5NT2
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BU of 5nt2 by Molmil
Complex of influenza A NS1 with TRIM25 coiled coil domain
Descriptor: E3 ubiquitin/ISG15 ligase TRIM25, Non-structural protein 1
Authors:Koliopoulos, M.G, Rittinger, K.
Deposit date:2017-04-27
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.259 Å)
Cite:Molecular mechanism of influenza A NS1-mediated TRIM25 recognition and inhibition.
Nat Commun, 9, 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
5O8X
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BU of 5o8x by Molmil
The X-ray Structure of Catenated Lytic Transglycosylase SltB1 from Pseudomonas aeruginosa
Descriptor: CACODYLATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Dominguez-Gil, T, Molina, R.
Deposit date:2017-06-14
Release date:2017-11-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray Structure of Catenated Lytic Transglycosylase SltB1.
Biochemistry, 56, 2017
5NV4
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BU of 5nv4 by Molmil
UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum double mutant D611C:G1050C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, UDP-glucose-glycoprotein glucosyltransferase-like protein, ...
Authors:Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N.
Deposit date:2017-05-03
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5O98
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BU of 5o98 by Molmil
Binary complex of Catharanthus roseus Vitrosamine Synthase with NADP+
Descriptor: Alcohol dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Stavrinides, A.K, Tatsis, E.C, Dang, T.T, Caputi, L, Stevenson, C.E.M, Lawson, D.M, Schneider, B, O'Connor, S.E.
Deposit date:2017-06-16
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of a Short-Chain Dehydrogenase from Catharanthus roseus that Produces a New Monoterpene Indole Alkaloid.
Chembiochem, 19, 2018
5NW2
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BU of 5nw2 by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-3,3-dimethyl-2-(oxetane-3-carboxamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 19)
Descriptor: (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Gadd, M.S, Soares, P, Ciulli, A.
Deposit date:2017-05-04
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
5NWT
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BU of 5nwt by Molmil
Crystal Structure of Escherichia coli RNA polymerase - Sigma54 Holoenzyme complex
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zhang, X, Buck, M, Darbari, V.C, Yang, Y, Zhang, N, Lu, D, Glyde, R, Wang, Y, Winkelman, J, Gourse, R.L, Murakami, K.S.
Deposit date:2017-05-08
Release date:2017-09-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.76 Å)
Cite:TRANSCRIPTION. Structures of the RNA polymerase-Sigma54 reveal new and conserved regulatory strategies.
Science, 349, 2015
5OAB
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BU of 5oab by Molmil
A novel crystal form of human RNase6 at atomic resolution
Descriptor: CHLORIDE ION, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Prats-Ejarque, G, Moussaoui, M, Boix, E.
Deposit date:2017-06-21
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.111 Å)
Cite:Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates.
Biochim Biophys Acta Gen Subj, 1863, 2019
5NZP
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BU of 5nzp by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Hydroxybenzisoxazole
Descriptor: 1,2-benzoxazol-3-ol, D-3-phosphoglycerate dehydrogenase
Authors:Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J.
Deposit date:2017-05-14
Release date:2017-06-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer.
Oncotarget, 9, 2018
5OAJ
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BU of 5oaj by Molmil
Crystal structure of mutant AChBP in complex with tropisetron (T53F, Q74R, Y110A, I135S, G162E)
Descriptor: (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P.
Deposit date:2017-06-22
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
5OB2
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BU of 5ob2 by Molmil
Crystal structure of the c-Src-SH3 domain E97T mutant in complex with the high affinity peptide APP12
Descriptor: APP12, Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A.
Deposit date:2017-06-25
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the c-Src-SH3 domain E97T mutant in complex with the high affinity peptide APP12
to be published
5O3Y
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BU of 5o3y by Molmil
SOD1 bound to Ebsulfur
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Capper, M.J, Wright, G.S.A, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2017-05-25
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The cysteine-reactive small molecule ebselen facilitates effective SOD1 maturation.
Nat Commun, 9, 2018
5OBG
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BU of 5obg by Molmil
Crystal structure of glycine binding protein in complex with strychnine
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Dawson, A, Hunter, W.N, Jones, M.
Deposit date:2017-06-26
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
5O4S
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BU of 5o4s by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ135
Descriptor: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-05-30
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5OCH
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BU of 5och by Molmil
The crystal structure of human ABCB8 in an outward-facing state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family B member 8, mitochondrial, ...
Authors:Faust, B, Pike, A.C.W, Shintre, C.A, Quiqley, A.M, Chu, A, Barr, A, Shrestha, L, Mukhopadhyay, S, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2017-06-30
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The crystal structure of human ABCB8 in an outward-facing state
To Be Published
5OE5
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BU of 5oe5 by Molmil
Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 3)
Descriptor: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate--CoA ligase, DI(HYDROXYETHYL)ETHER
Authors:Witzgall, F, Ewert, W, Blankenfeldt, W.
Deposit date:2017-07-07
Release date:2017-09-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Chembiochem, 18, 2017
5OEA
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BU of 5oea by Molmil
Structure of large terminase from the thermophilic bacteriophage D6E in complex with ATP-gamma-S (Crystal form 3)
Descriptor: Large subunit terminase, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Xu, R.G, Jenkins, H.T, Greive, S.J, Antson, A.A.
Deposit date:2017-07-07
Release date:2017-10-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the large terminase from a hyperthermophilic virus reveals a unique mechanism for oligomerization and ATP hydrolysis.
Nucleic Acids Res., 45, 2017
5OFP
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BU of 5ofp by Molmil
Structure of the antibacterial peptide ABC transporter McjD in an apo inward occluded conformation
Descriptor: Microcin-J25 export ATP-binding/permease protein McjD
Authors:Beis, K, Choudhury, H.G.
Deposit date:2017-07-11
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.71 Å)
Cite:Structural basis for antibacterial peptide self-immunity by the bacterial ABC transporter McjD.
EMBO J., 36, 2017
5OG6
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BU of 5og6 by Molmil
Cu nitrite reductase serial data at varying temperatures RT 0.24MGy
Descriptor: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:2017-07-11
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
5OGK
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BU of 5ogk by Molmil
Crystal structure of a nucleotide sugar transporter with bound nucleotide sugar.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GDP-mannose transporter 1, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE
Authors:Newstead, S, Parker, J.L.
Deposit date:2017-07-13
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural basis of nucleotide sugar transport across the Golgi membrane.
Nature, 551, 2017
5OKH
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BU of 5okh by Molmil
Conservatively refined structure of Gan1D-WT, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in the C2 spacegroup
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, IMIDAZOLE, ...
Authors:Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
Deposit date:2017-07-25
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
5O9L
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BU of 5o9l by Molmil
Crystal structure of human Histamine-Releasing Factor (HRF/TCTP)
Descriptor: Translationally-controlled tumor protein
Authors:Dore, K.A, Kashiwakura, J, McDonnell, J.M, Gould, H.J, Kawakami, T, Sutton, B.J, Davies, A.M.
Deposit date:2017-06-19
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of murine and human Histamine-Releasing Factor (HRF/TCTP) and a model for HRF dimerisation in mast cell activation.
Mol. Immunol., 93, 2017
5O9T
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BU of 5o9t by Molmil
HsNMT1 in complex with CoA and acetylated-NCFSKPK peptide
Descriptor: 1IP-CYS-PHE-SER-LYS-PRO-ARG, CHLORIDE ION, GLYCEROL, ...
Authors:Dian, C, Meinnel, T, Giglione, C.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern.
Nat. Chem. Biol., 14, 2018
5OAT
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BU of 5oat by Molmil
PINK1 structure
Descriptor: MAGNESIUM ION, Serine/threonine-protein kinase PINK1, mitochondrial-like Protein
Authors:Kumar, A, Tamjar, J, Woodroof, H.I, Raimi, O.G, Waddell, A.Y, Peggie, M, Muqit, M.M.K, van Aalten, D.M.F.
Deposit date:2017-06-23
Release date:2017-10-11
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structure of PINK1 and mechanisms of Parkinson's disease associated mutations.
Elife, 6, 2017

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