5TDQ
 
 | | Crystal Structure of the GOLD domain of ACBD3 | | Descriptor: | Golgi resident protein GCP60 | | Authors: | McPhail, J.A, Burke, J.E. | | Deposit date: | 2016-09-19 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.493 Å) | | Cite: | The Molecular Basis of Aichi Virus 3A Protein Activation of Phosphatidylinositol 4 Kinase III beta , PI4KB, through ACBD3.
Structure, 25, 2017
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5TJE
 | | Murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 and T cell receptor P14 | | Descriptor: | ALPHA CHAIN OF MURINE T CELL RECEPTOR p14, BETA CHAIN OF MURINE T CELL RECEPTOR p14, Beta-2-microglobulin, ... | | Authors: | Achour, A, Sandalova, T, Allerbring, E, Popov, A. | | Deposit date: | 2016-10-04 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
to be published
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5TFT
 | | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | | Descriptor: | (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Hsu, M.H, Johnson, E.F. | | Deposit date: | 2016-09-26 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J. Med. Chem., 60, 2017
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5TGJ
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5TK5
 | | Crystal structure of human 3HAO with iron bound in the active site | | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION, SULFATE ION | | Authors: | Pidugu, L.S, Toth, E.A. | | Deposit date: | 2016-10-06 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site.
Acta Crystallogr D Struct Biol, 73, 2017
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5TKY
 | | Crystal structure of the co-translational Hsp70 chaperone Ssb in the ATP-bound, open conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative uncharacterized protein | | Authors: | Gumiero, A, Gese, G.V, Weyer, F.A, Lapouge, K, Sinning, I. | | Deposit date: | 2016-10-10 | | Release date: | 2016-11-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Interaction of the cotranslational Hsp70 Ssb with ribosomal proteins and rRNA depends on its lid domain.
Nat Commun, 7, 2016
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5THQ
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5TIB
 | | Gasdermin-B C-terminal domain containing the polymorphism residues Arg299:Ser306 fused to maltose binding protein | | Descriptor: | ACETATE ION, SODIUM ION, Sugar ABC transporter substrate-binding protein,Gasdermin-B, ... | | Authors: | Chao, K, Herzberg, O. | | Deposit date: | 2016-10-01 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Human Gasdermin-B and disease: Sulfatide Binding, Caspase cleavage, and Structural impact of Asthma- and IBS-Associated Polymorphism
Proc.Natl.Acad.Sci.Usa, 2017
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5TKB
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D IN COMPLEX WITH A TETRAFLUORANLINE COMPOUND | | Descriptor: | ETHANOL, MAGNESIUM ION, N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide, ... | | Authors: | Sack, J.S. | | Deposit date: | 2016-10-06 | | Release date: | 2016-12-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
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5T7T
 | | Galectin-8 N terminal domain in complex with LNT | | Descriptor: | CHLORIDE ION, Galectin-8, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Bohari, M.H, Yu, X, Blanchard, H. | | Deposit date: | 2016-09-05 | | Release date: | 2017-01-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
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5T8P
 | | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2 | | Descriptor: | 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | | Authors: | Smith, M.A, McEwan, P.A. | | Deposit date: | 2016-09-08 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
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5T90
 | | Structural mechanisms for alpha-conotoxin selectivity at the human alpha3beta4 nicotinic acetylcholine receptor | | Descriptor: | Acetylcholine-binding protein, LsIA | | Authors: | Abraham, N, Healy, M, Ragnarsson, L, Brust, A, Alewood, P, Lewis, R. | | Deposit date: | 2016-09-08 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural mechanisms for alpha-conotoxin activity at the human alpha 3 beta 4 nicotinic acetylcholine receptor.
Sci Rep, 7, 2017
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5TDX
 | | Resurrected Ancestral Hydroxynitrile Lyase from Flowering Plants | | Descriptor: | Ancestral Hydroxynitrile Lyase 1, GLYCEROL | | Authors: | Jones, B.J, Evans, R, Wilmot, C.M, Kazlauskas, R.J. | | Deposit date: | 2016-09-20 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Larger active site in an ancestral hydroxynitrile lyase increases catalytically promiscuous esterase activity.
Plos One, 15, 2020
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5TCW
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5THM
 | | Esterase-6 from Drosophila melanogaster | | Descriptor: | Esterase-6, N,N-dimethylboranamine | | Authors: | Fraser, N.J, Jackson, C.J. | | Deposit date: | 2016-09-29 | | Release date: | 2017-03-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular basis for the behavioral effects of the odorant degrading enzyme Esterase 6 in Drosophila.
Sci Rep, 7, 2017
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5THV
 | | Crystal Structure of G305A HDAC8 in complex with M344 | | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2016-09-30 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.868 Å) | | Cite: | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
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5TDE
 | | TEV Cleaved Human ATP Citrate Lyase Bound to Citrate | | Descriptor: | ATP-citrate synthase, CITRATE ANION, DIHYDROGENPHOSPHATE ION, ... | | Authors: | Hu, J, Fraser, M.E. | | Deposit date: | 2016-09-19 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
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5TEH
 | | c-Src V281C kinase domain in complex with Rao-IV-156 | | Descriptor: | (2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Dieter, E.M, Merritt, E.A, Maly, D.J. | | Deposit date: | 2016-09-21 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | A combined approach reveals a regulatory mechanism coupling Src's kinase activity, localization, and phosphotransferase-independent functions
Mol.Cell, 2019
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5TFN
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5TG2
 | | 1.75 A resolution structure of Norovirus 3CL protease in complex with the a n-pentyl substituted macrocyclic inhibitor (17-mer) | | Descriptor: | (4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione, 3C-LIKE PROTEASE | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Chang, K.-O, Groutas, W.C. | | Deposit date: | 2016-09-27 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease.
Eur J Med Chem, 127, 2016
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5TKH
 | | Neurospora crassa polysaccharide monooxygenase 2 ascorbate treated | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ... | | Authors: | O'Dell, W.B, Meilleur, F. | | Deposit date: | 2016-10-06 | | Release date: | 2017-05-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Oxygen Activation at the Active Site of a Fungal Lytic Polysaccharide Monooxygenase.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5TJ3
 | | Crystal structure of wild type alkaline phosphatase PafA to 1.7A resolution | | Descriptor: | Alkaline phosphatase PafA, ZINC ION | | Authors: | Lyubimov, A.Y, Sunden, F, Ressl, S, Herschlag, D. | | Deposit date: | 2016-10-03 | | Release date: | 2016-11-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanistic and Evolutionary Insights from Comparative Enzymology of Phosphomonoesterases and Phosphodiesterases across the Alkaline Phosphatase Superfamily.
J.Am.Chem.Soc., 138, 2016
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5TJD
 | | Computer-based rational design of improved functionality for antibody catalysts toward organophosphorus compounds | | Descriptor: | FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light Chain | | Authors: | Chatziefthimiou, S, Stepanova, A, Smirnov, I, Gabibov, A, Wilmanns, M. | | Deposit date: | 2016-10-04 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 2020
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5TCS
 | | Crystal structure of a Dwarf Ndc80 Tetramer | | Descriptor: | Kinetochore protein NDC80, Kinetochore protein NUF2, Kinetochore protein SPC24, ... | | Authors: | Valverde, R, Harrison, S.C. | | Deposit date: | 2016-09-15 | | Release date: | 2016-11-23 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2.8313 Å) | | Cite: | Conserved Tetramer Junction in the Kinetochore Ndc80 Complex.
Cell Rep, 17, 2016
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5TI8
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