6SJV
 
 | | Structure of HPV18 E6 oncoprotein in complex with mutant E6AP LxxLL motif | | Descriptor: | Maltodextrin-binding protein,Protein E6,Ubiquitin-protein ligase E3A, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Suarez, I.P, Cousido-Siah, A, Bonhoure, A, Kostmann, C, Mitschler, A, Podjarny, A, Trave, G. | | Deposit date: | 2019-08-14 | | Release date: | 2019-09-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.029 Å) | | Cite: | Cellular target recognition by HPV18 and HPV49 oncoproteins
To be published
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5MNN
 | | Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 100 K) | | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.859 Å) | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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5MNX
 | | Neutron structure of cationic trypsin in complex with 2-aminopyridine | | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | NEUTRON DIFFRACTION (1.42 Å) | | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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7ATR
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6Y24
 | | Crystal structure of fourth KH domain of FUBP1 | | Descriptor: | 1,2-ETHANEDIOL, Far upstream element-binding protein 1 | | Authors: | Ni, X, Joerger, A.C, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-14 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1.
Sci Rep, 10, 2020
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8EHH
 | | Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution | | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Power, P, Ghiglione, B, Bonomo, R.A, Rodriguez, M.M, Gutkind, G, Klinke, S. | | Deposit date: | 2022-09-14 | | Release date: | 2023-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Biochemical and structural evidences of the activity of relebactam as inhibitor of the extended-spectrum beta-lactamase CTX-M-96.
To be published
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6V1D
 | | Crystal structure of human trefoil factor 1 | | Descriptor: | Trefoil factor 1 | | Authors: | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | | Deposit date: | 2019-11-20 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
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8CGL
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5JRM
 | | Crystal Structure of a Xylanase at 1.56 Angstroem resolution | | Descriptor: | Endo-1,4-beta-xylanase, GLYCEROL, SULFATE ION | | Authors: | Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C. | | Deposit date: | 2016-05-06 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal Structure of a Xylanase at 1.56 Angstroem resolution
To Be Published
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6Y3D
 | | X-ray structure of thermophilic C-phycocyanin from Galdiera phlegrea | | Descriptor: | ACETATE ION, C-phycocyanin alpha chain, C-phycocyanin beta chain, ... | | Authors: | Ferraro, G, Lucignano, R, Marseglia, A, Merlino, A. | | Deposit date: | 2020-02-18 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray structure of C-phycocyanin from Galdieria phlegrea: Determinants of thermostability and comparison with a C-phycocyanin in the entire phycobilisome.
Biochim Biophys Acta Bioenerg, 1861, 2020
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6OZ7
 | | Putative oxidoreductase from Escherichia coli str. K-12 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, TRIETHYLENE GLYCOL, ... | | Authors: | Osipiuk, J, Skarina, T, Mesa, N, Endres, M, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-05-15 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Putative oxidoreductase from Escherichia coli str. K-12
to be published
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5MR5
 | | Ligand-receptor complex. | | Descriptor: | GDNF family receptor alpha-2, GLYCEROL, Neurturin, ... | | Authors: | Sandmark, J, Oster, L, Aagaard, A, Roth, R, Dahl, G. | | Deposit date: | 2016-12-21 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
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4XUM
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5MVD
 | | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | | Descriptor: | 1,5-dimethyl-3-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazole-4-carboxamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | | Deposit date: | 2017-01-16 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.
Eur J Med Chem, 129, 2017
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7OJT
 | | Crystal structure of unliganded PatA, a membrane associated acyltransferase from Mycobacterium smegmatis | | Descriptor: | GLYCEROL, Phosphatidylinositol mannoside acyltransferase | | Authors: | Anso, I, Wang, L, Marina, A, Paez-Perez, E.D, Perrone, S, Lowary, T.L, Trastoy, B, Guerin, M.E. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.67 Å) | | Cite: | Molecular ruler mechanism and interfacial catalysis of the integral membrane acyltransferase PatA.
Sci Adv, 7, 2021
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6MUI
 | | CryoEM structure of chimeric Eastern Equine Encephalitis Virus with Fab of EEEV-42 antibody | | Descriptor: | E1, E2, EEEV-42 antibody heavy chain, ... | | Authors: | Hasan, S.S, Sun, C, Kim, A.S, Watanabe, Y, Chen, C.L, Klose, T, Buda, G, Crispin, M, Diamond, M.S, Klimstra, W.B, Rossmann, M.G. | | Deposit date: | 2018-10-23 | | Release date: | 2018-12-19 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Cryo-EM Structures of Eastern Equine Encephalitis Virus Reveal Mechanisms of Virus Disassembly and Antibody Neutralization.
Cell Rep, 25, 2018
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6SS4
 | | Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0021181 | | Descriptor: | Arginase-2, mitochondrial, Fab C0021181 heavy chain (IgG1), ... | | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
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5MX7
 | | 1a,20S-dihydroxyvitamin D3 VDR complex | | Descriptor: | 1a,20S-dihydroxyvitamin D3, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N, Belorusova, A.Y. | | Deposit date: | 2017-01-21 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | 1 alpha,20S-Dihydroxyvitamin D3 Interacts with Vitamin D Receptor: Crystal Structure and Route of Chemical Synthesis.
Sci Rep, 7, 2017
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7B0U
 | | Stressosome complex from Listeria innocua | | Descriptor: | RsbR protein, RsbS protein | | Authors: | Miksys, A, Fu, L, Madej, M.G, Ziegler, C. | | Deposit date: | 2020-11-22 | | Release date: | 2021-12-01 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Molecular insights into intra-complex signal transmission during stressosome activation.
Commun Biol, 5, 2022
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5MXK
 | | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7G9. | | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide | | Authors: | Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2017-01-23 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6SAF
 | | The Fk1 domain of FKBP51 in complex with (S)-(R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-morpholinoethoxy)phenyl)propyl 1-((1R,4aR,8aR)-4-oxodecahydronaphthalene-1-carbonyl)piperidine-2-carboxylate | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate | | Authors: | Feng, X, Sippel, C, Knaup, F, Bracher, A, Staibano, S, Romano, M.F, Hausch, F. | | Deposit date: | 2019-07-16 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A Novel Decalin-Based Bicyclic Scaffold for FKBP51-Selective Ligands.
J.Med.Chem., 63, 2020
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6V23
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5MIH
 | | Crystal structure of the lectin LecA from Pseudomonas aeruginosa in complex with a phenyl-epoxy-galactopyranoside | | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, PA-I galactophilic lectin, ... | | Authors: | Wagner, S, Hauk, D, Hofmann, M, Joachim, I, Sommer, R, Muller, R, Imberty, A, Varrot, A, Titz, A. | | Deposit date: | 2016-11-28 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent Lectin Inhibition and Application in Bacterial Biofilm Imaging.
Angew. Chem. Int. Ed. Engl., 56, 2017
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8THR
 | | Structure of the human vesicular monoamine transporter 2 (VMAT2) bound to tetrabenazine in an occluded conformation | | Descriptor: | (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, fluorescent protein mVenus,Synaptic vesicular amine transporter,GFP nano body,Synaptic vesicular amine transporter,Synaptic vesicular amine transporter | | Authors: | Dalton, M.P, Coleman, J.A. | | Deposit date: | 2023-07-17 | | Release date: | 2023-10-25 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Structural mechanisms for VMAT2 inhibition by tetrabenazine.
Elife, 12, 2024
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5K4Z
 | | M. thermoresistible IMPDH in complex with IMP and Compound 6 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(4-fluorophenyl)-4-(2~{H}-indazol-6-ylsulfamoyl)-3,5-dimethyl-1~{H}-pyrrole-2-carboxamide | | Authors: | Pacitto, A, Ascher, D.B, Blundell, T.L. | | Deposit date: | 2016-05-22 | | Release date: | 2016-10-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.
ACS Infect Dis, 3, 2017
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