2Q89
| Crystal structure of EhuB in complex with hydroxyectoine | Descriptor: | (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CADMIUM ION, Putative ABC transporter amino acid-binding protein | Authors: | Hanekop, N, Hoeing, M, Sohn-Bosser, L, Jebbar, M, Schmitt, L, Bremer, E. | Deposit date: | 2007-06-09 | Release date: | 2008-01-01 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the ligand-binding protein EhuB from Sinorhizobium meliloti reveals substrate recognition of the compatible solutes ectoine and hydroxyectoine. J.Mol.Biol., 374, 2007
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3FDH
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4GFC
| N-terminal coiled-coil dimer of C.elegans SAS-6, crystal form B | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Spindle assembly abnormal protein 6, ... | Authors: | Erat, M.C, Vakonakis, I. | Deposit date: | 2012-08-03 | Release date: | 2013-06-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Caenorhabditis elegans centriolar protein SAS-6 forms a spiral that is consistent with imparting a ninefold symmetry. Proc.Natl.Acad.Sci.USA, 110, 2013
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2Q9E
| Structure of spin-labeled T4 lysozyme mutant S44R1 | Descriptor: | 2-HYDROXYETHYL DISULFIDE, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | Authors: | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | Deposit date: | 2007-06-12 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | EPR (2.1 Å), X-RAY DIFFRACTION | Cite: | Structural determinants of nitroxide motion in spin-labeled proteins: Solvent-exposed sites in helix B of T4 lysozyme. Protein Sci., 17, 2008
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3V2L
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4GMS
| Crystal structure of heterosubtypic Fab S139/1 in complex with influenza A H3 hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab S139/1 heavy chain, ... | Authors: | Lee, P.S, Ekiert, D.C, Wilson, I.A. | Deposit date: | 2012-08-16 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Heterosubtypic antibody recognition of the influenza virus hemagglutinin receptor binding site enhanced by avidity. Proc.Natl.Acad.Sci.USA, 109, 2012
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3FP8
| Anionic trypsin variant S195A in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to the 1.46 A resolution limit | Descriptor: | 1,2-ETHANEDIOL, Anionic trypsin-2, CALCIUM ION, ... | Authors: | Zakharova, E, Horvath, M.P, Goldenberg, D.P, Curtice, K. | Deposit date: | 2009-01-04 | Release date: | 2009-02-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure of a serine protease poised to resynthesize a peptide bond. Proc.Natl.Acad.Sci.USA, 106, 2009
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5RWC
| INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434879 | Descriptor: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | Authors: | Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-30 | Release date: | 2020-11-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 2024
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3F29
| Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in complex with sulfite | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CALCIUM ION, Eight-heme nitrite reductase, ... | Authors: | Trofimov, A.A, Polyakov, K.M, Boyko, K.M, Slutsky, A, Tikhonova, T.V, Antipov, A.N, Zvyagilskaya, R.A, Popov, A.N, Lamzin, V.S, Bourenkov, G.P, Popov, V.O. | Deposit date: | 2008-10-29 | Release date: | 2008-12-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding of sulfite by the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase To be Published
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2QBQ
| Crystal structure of ptp1b-inhibitor complex | Descriptor: | 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W. | Deposit date: | 2007-06-18 | Release date: | 2008-03-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site. J.Med.Chem., 50, 2007
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3F92
| Crystal structure of ubiquitin-conjugating enzyme E2-25kDa (Huntington Interacting Protein 2) M172A mutant crystallized at pH 8.5 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CALCIUM ION, ... | Authors: | Wilson, R.C, Hughes, R.C, Flatt, J.W, Meehan, E.J, Ng, J.D, Twigg, P.D. | Deposit date: | 2008-11-13 | Release date: | 2008-11-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure of full-length ubiquitin-conjugating enzyme E2-25K (huntingtin-interacting protein 2). Acta Crystallogr.,Sect.F, 65, 2009
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3C7E
| Crystal structure of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase from Bacillus subtilis. | Descriptor: | CALCIUM ION, Endo-1,4-beta-xylanase, FORMIC ACID, ... | Authors: | Vandermarliere, E, Bourgois, T.M, Winn, M.D, Van Campenhout, S, Volckaert, G, Strelkov, S.V, Delcour, J.A, Rabijns, A, Courtin, C.M. | Deposit date: | 2008-02-07 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural analysis of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase in complex with xylotetraose reveals a different binding mechanism compared with other members of the same family. Biochem.J., 418, 2009
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1YIL
| Structure of Hen egg white lysozyme soaked with Cu2-Xylylbicyclam | Descriptor: | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZA-CYCLOTETRADECANE]CU(II)2, CHLORIDE ION, Lysozyme C, ... | Authors: | Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J. | Deposit date: | 2005-01-12 | Release date: | 2005-02-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme Proc.Natl.Acad.Sci.Usa, 102, 2005
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4G61
| Crystal structure of IMPase/NADP phosphatase complexed with Mg2+ and phosphate | Descriptor: | 1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-2,3-DIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... | Authors: | Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K. | Deposit date: | 2012-07-18 | Release date: | 2013-07-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase. Febs J., 281, 2014
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2ZJY
| Structure of the K349P mutant of Gi alpha 1 subunit bound to ALF4 and GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit, ... | Authors: | Morikawa, T, Muroya, A, Sugio, S, Wakamatsu, K, Kohno, T. | Deposit date: | 2008-03-11 | Release date: | 2009-03-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | How GPCRs activate G proteins: Structural changes form C-terminal tail to GDP binding pocket To be Published
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3GIQ
| Crystal structure of N-acyl-D-Glutamate Deacylase from Bordetella Bronchiseptica complexed with zinc and phosphonate inhibitor, a mimic of the reaction tetrahedral intermediate. | Descriptor: | N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid, N-acyl-D-glutamate deacylase, ZINC ION | Authors: | Fedorov, A.A, Fedorov, E.V, Cummings, J, Raushel, F.M, Almo, S.C. | Deposit date: | 2009-03-05 | Release date: | 2009-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Annotating enzymes of uncertain function: the deacylation of D-amino acids by members of the amidohydrolase superfamily. Biochemistry, 48, 2009
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2Q5K
| Crystal structure of lopinavir bound to wild type HIV-1 protease | Descriptor: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-06-01 | Release date: | 2007-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres. J.Med.Chem., 50, 2007
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2ZTB
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2Q9D
| Structure of spin-labeled T4 lysozyme mutant A41R1 | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | Authors: | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | Deposit date: | 2007-06-12 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | EPR (1.4 Å), X-RAY DIFFRACTION | Cite: | Structural determinants of nitroxide motion in spin-labeled proteins: Solvent-exposed sites in helix B of T4 lysozyme. Protein Sci., 17, 2008
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3VS9
| Crystal structure of type III PKS ArsC mutant | Descriptor: | SODIUM ION, TETRAETHYLENE GLYCOL, Type III polyketide synthase | Authors: | Satou, R, Miyanaga, A, Ozawa, H, Funa, N, Miyazono, K, Tanokura, M, Ohnishi, Y, Horinouchi, S. | Deposit date: | 2012-04-23 | Release date: | 2013-04-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural basis for cyclization specificity of two Azotobacter type III polyketide synthases: a single amino acid substitution reverses their cyclization specificity J.Biol.Chem., 288, 2013
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3C7K
| Molecular architecture of Galphao and the structural basis for RGS16-mediated deactivation | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(o) subunit alpha, MAGNESIUM ION, ... | Authors: | Slep, K.C, Kercher, M.A, Wieland, T, Chen, C, Simon, M.I, Sigler, P.B. | Deposit date: | 2008-02-07 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular architecture of G{alpha}o and the structural basis for RGS16-mediated deactivation. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3C8O
| The Crystal Structure of RraA from PAO1 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Regulator of ribonuclease activity A, ... | Authors: | Luo, M, Niu, S, Yin, Y, Huang, A, Wang, D. | Deposit date: | 2008-02-12 | Release date: | 2009-02-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Crystal Structure of RraA from PAO1 To be published
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3DKT
| Crystal structure of Thermotoga maritima encapsulin | Descriptor: | Maritimacin, Putative uncharacterized protein | Authors: | Sutter, M, Boehringer, D, Gutmann, S, Weber-Ban, E, Ban, N. | Deposit date: | 2008-06-26 | Release date: | 2008-09-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.104 Å) | Cite: | Structural basis of enzyme encapsulation into a bacterial nanocompartment Nat.Struct.Mol.Biol., 15, 2008
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5R8E
| PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z57475877 in complex with INTERLEUKIN-1 BETA | Descriptor: | Interleukin-1 beta, SULFATE ION, ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-03 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5RM0
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1492796719 | Descriptor: | Helicase, PHOSPHATE ION, ZINC ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.909 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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