6DWD
 
 | | SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5SWZ
 | | Crystal Structure of NP1-B17 TCR-H2Db-NP complex | | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | | Authors: | Gras, S, Del Campo, C.M, Farenc, C, Josephs, T.M, Rossjohn, J. | | Deposit date: | 2016-08-09 | | Release date: | 2016-10-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Reversed T Cell Receptor Docking on a Major Histocompatibility Class I Complex Limits Involvement in the Immune Response.
Immunity, 45, 2016
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5GWA
 | | Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Wachino, J, Jin, W, Arakawa, Y. | | Deposit date: | 2016-09-09 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595.
Antimicrob. Agents Chemother., 61, 2017
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5T73
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7B7N
 | | Human herpesvirus-8 gH/gL in complex with EphA2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Pederzoli, R, Guardado-Calvo, P, Rey, F.A, Backovic, M. | | Deposit date: | 2020-12-11 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Human herpesvirus 8 molecular mimicry of ephrin ligands facilitates cell entry and triggers EphA2 signaling.
Plos Biol., 19, 2021
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5KC1
 | | Structure of the C-terminal dimerization domain of Atg38 | | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, Autophagy-related protein 38, ... | | Authors: | Ohashi, Y, Soler, N, Garcia-Ortegon, M, Zhang, L, Perisic, O, Masson, G.R, Johnson, C.M, Williams, R.J. | | Deposit date: | 2016-06-04 | | Release date: | 2016-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex.
Autophagy, 12, 2016
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6G2U
 | | Crystal structure of the human glutamate dehydrogenase 2 (hGDH2) | | Descriptor: | CHLORIDE ION, Glutamate dehydrogenase 2, mitochondrial, ... | | Authors: | Fadouloglou, V.F, Dimovasili, C, Providaki, M, Kotsifaki, D, Sarrou, I, Plaitakis, A, Zaganas, I, Kokkinidis, M. | | Deposit date: | 2018-03-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.934287 Å) | | Cite: | Crystal structure of glutamate dehydrogenase 2, a positively selected novel human enzyme involved in brain biology and cancer pathophysiology.
J.Neurochem., 2021
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1H8A
 | | CRYSTAL STRUCTURE OF TERNARY PROTEIN-DNA COMPLEX3 | | Descriptor: | CAAT/ENHANCER BINDING PROTEIN BETA, DNA(5'-(*CP*CP*AP*GP*TP*CP*CP*GP*TP*TP*AP* AP*GP*GP*AP*TP*TP*GP*CP*GP*CP*CP*AP*CP*AP*T)-3'), DNA(5'-(*GP*AP*TP*GP*TP*GP*GP*CP*GP*CP*AP* AP*TP*CP*CP*TP*TP*AP*AP*CP*GP*GP*AP*CP*TP*G)-3'), ... | | Authors: | Tahirov, T.H, Ogata, K. | | Deposit date: | 2001-01-31 | | Release date: | 2002-01-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Mechanism of C-Myb-C/Ebpbeta Cooperation from Separated Sites on a Promoter
Cell(Cambridge,Mass.), 108, 2002
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6WZB
 | | Crystal structure of the GltPh V216C-G388C mutant cross-linked with divalent mercury | | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog, MERCURY (II) ION, ... | | Authors: | Chen, I, Font, J, Ryan, R. | | Deposit date: | 2020-05-13 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021
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6XNM
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4JCO
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6LDM
 | | Structural basis of G-quadruplex DNA recognition by the yeast telomeric protein Rap1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA-binding protein RAP1, G-guadruplex DNA, ... | | Authors: | Traczyk, A, Gill, D.J, Chong, W.L, Rhodes, D. | | Deposit date: | 2019-11-22 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of G-quadruplex DNA recognition by the yeast telomeric protein Rap1.
Nucleic Acids Res., 48, 2020
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4U89
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8E6K
 | | 2H08 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2H08 fragment antigen binding heavy chain, 2H08 fragment antigen binding light chain, ... | | Authors: | Turner, H.L, Ozorowski, G, Ward, A.B. | | Deposit date: | 2022-08-22 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo.
Immunity, 56, 2023
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8E6J
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4UHV
 | | The structure of VgrG1, the needle tip of the bacterial Type VI Secretion System | | Descriptor: | CHLORIDE ION, SODIUM ION, VGRG1, ... | | Authors: | Spinola-Amilibia, M, Davo-Siguero, I, Ruiz, F.M, Santillana, E, Medrano, F.J, Romero, A. | | Deposit date: | 2015-03-25 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structure of Vgrg1 from Pseudomonas Aeruginosa, the Needle Tip of the Bacterial Type Vi Secretion System
Acta Crystallogr.,Sect.D, 72, 2016
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6YC2
 | | Crystal structure of the light-driven sodium pump KR2 in the pentameric form at room temperature, pH 8.0 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ALANINE, EICOSANE, ... | | Authors: | Kovalev, K, Gushchin, I, Gordeliy, V. | | Deposit date: | 2020-03-18 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular mechanism of light-driven sodium pumping.
Nat Commun, 11, 2020
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5GS8
 | | Crystal structure of TLA-3 extended-spectrum beta-lactamase | | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | | Authors: | Wachino, J, Jin, W, Arakawa, Y. | | Deposit date: | 2016-08-14 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595.
Antimicrob. Agents Chemother., 61, 2017
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5T26
 | | Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli. | | Descriptor: | 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Chooback, L, Thomas, L.M, Karsten, W.E, Fleming, C.D, Seabourn, P. | | Deposit date: | 2016-08-23 | | Release date: | 2016-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
To Be Published
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5T5I
 | | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, ORTHORHOMBIC FORM AT 1.9 A | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CALCIUM ION, GLYCEROL, ... | | Authors: | Wagner, T, Ermler, U, Shima, S. | | Deposit date: | 2016-08-31 | | Release date: | 2016-10-19 | | Last modified: | 2016-12-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Science, 354, 2016
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6VOD
 | | HIV-1 wild type protease with GRL-052-16A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand | | Descriptor: | (1R,3aS,5R,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2020-01-30 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies.
J.Med.Chem., 63, 2020
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6VUX
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT388 | | Descriptor: | 2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-02-16 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
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6VOE
 | | HIV-1 wild type protease with GRL-019-17A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand and a aminobenzothiazole(Abt)-based P2'-ligand | | Descriptor: | (1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2020-01-30 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies.
J.Med.Chem., 63, 2020
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6VMW
 | | Crystal structure of the F316A mutant of GoxA soaked with glycine | | Descriptor: | Glycine oxidase, MAGNESIUM ION, SODIUM ION | | Authors: | Yukl, E.T. | | Deposit date: | 2020-01-28 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Roles of active-site residues in catalysis, substrate binding, cooperativity, and the reaction mechanism of the quinoprotein glycine oxidase.
J.Biol.Chem., 295, 2020
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6W0R
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