7ZWQ
 
 | | Crystal structure of human BCL6 BTB domain in complex with compound 10 | | Descriptor: | 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2022-05-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
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5LBQ
 | | LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N2-(3-(dimethylamino)propyl)-6,7-dimethoxy-N4,N4-dimethylquinazoline-2,4-diamine, ... | | Authors: | Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A. | | Deposit date: | 2016-06-16 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
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6GMX
 | | pVHL:EloB:EloC in complex with 6-chlorothiochroman-4-one | | Descriptor: | 6-chloranyl-2,3-dihydrothiochromen-4-one, ACETATE ION, Elongin-B, ... | | Authors: | Van Molle, I, Lucas, X, Ciulli, A. | | Deposit date: | 2018-05-28 | | Release date: | 2018-08-08 | | Last modified: | 2018-09-05 | | Method: | X-RAY DIFFRACTION (2.533 Å) | | Cite: | Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase.
J. Med. Chem., 61, 2018
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6GKI
 | | Structure of E coli MlaC in Variously Loaded States | | Descriptor: | BROMIDE ION, GLYCEROL, Probable phospholipid-binding protein MlaC | | Authors: | Knowles, T.J, Lovering, A.L. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Evidence for phospholipid export from the bacterial inner membrane by the Mla ABC transport system.
Nat Microbiol, 4, 2019
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7ZOU
 | | Crystal structure of Synechocystis halorhodopsin (SyHR), Cl-pumping mode, ground state | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, EICOSANE, ... | | Authors: | Kovalev, K, Bukhdruker, S, Astashkin, R, Vaganova, S, Gordeliy, V. | | Deposit date: | 2022-04-26 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural insights into light-driven anion pumping in cyanobacteria.
Nat Commun, 13, 2022
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6R1G
 | | Crystal structure of Borrelia burgdorferi periplasmic protein BB0365 (IPLA7, p22) | | Descriptor: | Outer surface 22 kDa lipoprotein, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | | Authors: | Brangulis, K, Akopjana, I, Petrovskis, I, Kazaks, A, Tars, K. | | Deposit date: | 2019-03-14 | | Release date: | 2019-09-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural analysis of Borrelia burgdorferi periplasmic lipoprotein BB0365 involved in Lyme disease infection.
Febs Lett., 594, 2020
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6CN5
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7ZOV
 | | Crystal structure of Synechocystis halorhodopsin (SyHR), Cl-pumping mode, K state | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, EICOSANE, ... | | Authors: | Kovalev, K, Bukhdruker, S, Astashkin, R, Vaganova, S, Gordeliy, V. | | Deposit date: | 2022-04-26 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into light-driven anion pumping in cyanobacteria.
Nat Commun, 13, 2022
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6GMQ
 | | pVHL:EloB:EloC in complex with (4-(1H-pyrrol-1-yl)phenyl)methanol | | Descriptor: | (4-pyrrol-1-ylphenyl)methanol, ACETATE ION, Elongin-B, ... | | Authors: | Van Molle, I, Lucas, X, Ciulli, A. | | Deposit date: | 2018-05-28 | | Release date: | 2018-08-22 | | Last modified: | 2018-09-05 | | Method: | X-RAY DIFFRACTION (2.755 Å) | | Cite: | Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase.
J. Med. Chem., 61, 2018
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6D3N
 | | Crystal structure of h4-1BB ligand | | Descriptor: | GLYCEROL, Tumor necrosis factor ligand superfamily member 9 | | Authors: | Aruna, B, Zajonc, D.M, Doukov, T. | | Deposit date: | 2018-04-16 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of the human 4-1BB receptor bound to its ligand 4-1BBL reveal covalent receptor dimerization as a potential signaling amplifier.
J. Biol. Chem., 293, 2018
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5JEU
 | | del-[Ru(phen)2(dppz)]2+ bound to d(TCGGCGCCGA) with Ba2+ | | Descriptor: | BARIUM ION, CHLORIDE ION, DNA (5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3'), ... | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2016-04-19 | | Release date: | 2016-09-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Delta chirality ruthenium 'light-switch' complexes can bind in the minor groove of DNA with five different binding modes.
Nucleic Acids Res., 44, 2016
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2JSL
 | | Monomeric Human Telomere DNA Tetraplex with 3+1 Strand Fold Topology, Two Edgewise Loops and Double-Chain Reversal Loop, Form 2 Natural, NMR, 10 Structures | | Descriptor: | HUMAN TELOMERE DNA | | Authors: | Kuryavyi, V.V, Phan, A.T, Luu, K.N, Patel, D.J. | | Deposit date: | 2007-07-08 | | Release date: | 2008-07-15 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of two intramolecular G-quadruplexes formed by natural human telomere sequences in K+ solution.
Nucleic Acids Res., 35, 2007
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7ZOW
 | | Crystal structure of Synechocystis halorhodopsin (SyHR), Cl-pumping mode, O state | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | | Authors: | Kovalev, K, Bukhdruker, S, Astashkin, R, Vaganova, S, Gordeliy, V. | | Deposit date: | 2022-04-26 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights into light-driven anion pumping in cyanobacteria.
Nat Commun, 13, 2022
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6ZFH
 | | Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclopentane-1,4'-quinazolin]-5'(6'H)-one | | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one, Galactokinase, beta-D-galactopyranose | | Authors: | Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-06-17 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.439 Å) | | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
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6QZC
 | | HLA-DR1 with the QAR Peptide | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Greenshields-Watson, A, Rizkallah, P.J. | | Deposit date: | 2019-03-11 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features.
Cell Rep, 32, 2020
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6BR6
 | | N2 neuraminidase in complex with a novel antiviral compound | | Descriptor: | (1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M. | | Deposit date: | 2017-11-30 | | Release date: | 2018-03-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.03983879 Å) | | Cite: | A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity.
ChemMedChem, 13, 2018
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5JEY
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6BSU
 | | Crystal structure of xyloglucan xylosyltransferase I | | Descriptor: | MANGANESE (II) ION, Xyloglucan 6-xylosyltransferase 1 | | Authors: | Culbertson, A.T, Ehrlich, J.J, Choe, J, Honzatko, R.B, Zabotina, O.A. | | Deposit date: | 2017-12-04 | | Release date: | 2018-05-23 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | Structure of xyloglucan xylosyltransferase 1 reveals simple steric rules that define biological patterns of xyloglucan polymers.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6OT1
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6GMN
 | | pVHL:EloB:EloC in complex with methyl 4H-furo[3,2-b]pyrrole-5-carboxylate | | Descriptor: | ACETATE ION, Elongin-B, Elongin-C, ... | | Authors: | Van Molle, I, Lucas, X, Ciulli, A. | | Deposit date: | 2018-05-27 | | Release date: | 2018-08-08 | | Last modified: | 2018-09-05 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Surface Probing by Fragment-Based Screening and Computational Methods Identifies Ligandable Pockets on the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase.
J. Med. Chem., 61, 2018
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6Z71
 | | Structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | | Descriptor: | Aq128 | | Authors: | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | | Deposit date: | 2020-05-29 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The structure of the Aquifex aeolicus MATE family multidrug resistance transporter and sequence comparisons suggest the existence of a new subfamily.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6Z70
 | | Structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Aq128 | | Authors: | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | | Deposit date: | 2020-05-29 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of the Aquifex aeolicus MATE family multidrug resistance transporter and sequence comparisons suggest the existence of a new subfamily.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5J44
 | | Crystal structure of the Secreted Extracellular protein A (SepA) from Shigella flexneri | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Serine protease SepA autotransporter | | Authors: | Birtley, J.R, Stern, L.J, McCormick, B, Maldonado-Contreras, A. | | Deposit date: | 2016-03-31 | | Release date: | 2017-04-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.912 Å) | | Cite: | Shigella depends on SepA to destabilize the intestinal epithelial integrity via cofilin activation.
Gut Microbes, 8, 2017
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5JJF
 | | Structure of the SRII/HtrII Complex in I212121 space group ("U" shape) - M state | | Descriptor: | EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... | | Authors: | Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V. | | Deposit date: | 2016-04-23 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex.
Sci Rep, 7, 2017
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6BST
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