5URC
 
 | | Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease | | Descriptor: | (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ... | | Authors: | Pagare, P.P, Safo, R.S, Gazi, A. | | Deposit date: | 2017-02-10 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease.
Mol. Pharm., 14, 2017
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4IFX
 | | Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, FAD substrate bound form | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V. | | Deposit date: | 2012-12-15 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.452 Å) | | Cite: | The TP0796 Lipoprotein of Treponema pallidum Is a Bimetal-dependent FAD Pyrophosphatase with a Potential Role in Flavin Homeostasis.
J.Biol.Chem., 288, 2013
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4V6X
 | | Structure of the human 80S ribosome | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Anger, A.M, Armache, J.-P, Berninghausen, O, Habeck, M, Subklewe, M, Wilson, D.N, Beckmann, R. | | Deposit date: | 2013-02-27 | | Release date: | 2014-07-09 | | Last modified: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Structures of the human and Drosophila 80S ribosome.
Nature, 497, 2013
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3ZNL
 | | H5 Haemagglutinin in Complex with 6-O-Sulfo-Sialyl-Lewis X (Sulfated Lewis X) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HAEMAGGLUTININ, ... | | Authors: | Xiong, X, Tuzikov, A, Coombs, P, Martin, S.R, Walker, P.A, Gamblin, S.J, Bovin, N, Skehel, J.J. | | Deposit date: | 2013-02-15 | | Release date: | 2013-09-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Recognition of Sulphated and Fucosylated Receptor Sialosides by A/Vietnam/1194/2004 (H5N1) Influenza Virus.
Virus Res., 178, 2013
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4V7T
 | | Crystal structure of the E. coli ribosome bound to chloramphenicol. | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Dunkle, J.A, Xiong, L, Mankin, A.S, Cate, J.H.D. | | Deposit date: | 2010-08-14 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1942 Å) | | Cite: | Structures of the Escherichia coli ribosome with antibiotics bound near the peptidyl transferase center explain spectra of drug action.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3ZN5
 | | VP16, a capsid protein of bacteriophage P23-77 (VP16-virus-derived) | | Descriptor: | CHLORIDE ION, VP16 | | Authors: | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | | Deposit date: | 2013-02-13 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Bacteriophage P23-77 Capsid Protein Structures Reveal the Archetype of an Ancient Branch from a Major Virus Lineage.
Structure, 21, 2013
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4V7S
 | | Crystal structure of the E. coli ribosome bound to telithromycin. | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Dunkle, J.A, Xiong, L, Mankin, A.S, Cate, J.H.D. | | Deposit date: | 2010-08-05 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2547 Å) | | Cite: | Structures of the Escherichia coli ribosome with antibiotics bound near the peptidyl transferase center explain spectra of drug action.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5CQE
 | | 2.1 Angstrom resolution crystal structure of matrix protein 1 (M1; residues 1-164) from Influenza A virus (A/Puerto Rico/8/34(H1N1)) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Halavaty, A.S, Minasov, G, Flores, K, Dubrovska, I, Grimshaw, S, Shuvalova, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-07-21 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 2.1 Angstrom resolution crystal structure of matrix protein 1 (M1; residues 1-164) from Influenza A virus (A/Puerto Rico/8/34(H1N1))
To Be Published
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9B2H
 | | HIV-1 wild type protease with GRL-072-17A, a substituted tetrahydrofuran derivative based on Darunavir as P2 group | | Descriptor: | 2,5:6,9-dianhydro-1,3,7,8-tetradeoxy-4-O-({(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamoyl)-L-gluco-nonitol, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | Deposit date: | 2024-03-15 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Design of substituted tetrahydrofuran derivatives for HIV-1 protease inhibitors: synthesis, biological evaluation, and X-ray structural studies.
Org.Biomol.Chem., 2024
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7B1X
 | | Crystal structure of cold-active esterase PMGL3 from permafrost metagenomic library | | Descriptor: | esterase PMGL3 | | Authors: | Boyko, K.M, Nikolaeva, A.Y, Petrovskaya, L.E, Kryukova, M.V, Kryukova, E.A, Korzhenevsky, D.A, Lomakina, G.Y, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | | Deposit date: | 2020-11-25 | | Release date: | 2021-11-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Biochemical Characterization of a Cold-Active PMGL3 Esterase with Unusual Oligomeric Structure.
Biomolecules, 11, 2021
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4V47
 | | Real space refined coordinates of the 30S and 50S subunits fitted into the low resolution cryo-EM map of the EF-G.GTP state of E. coli 70S ribosome | | Descriptor: | 16S RIBOSOMAL RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Gao, H, Sengupta, J, Valle, M, Korostelev, A, Eswar, N, Stagg, S.M, Van Roey, P, Agrawal, R.K, Harvey, S.T, Sali, A, Chapman, M.S, Frank, J. | | Deposit date: | 2003-05-06 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (12.3 Å) | | Cite: | Study of the structural dynamics of the E. coli 70S ribosome using real space refinement
Cell(Cambridge,Mass.), 113, 2003
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3ZGI
 | | Crystal structure of the KRT10-binding region domain of the pneumococcal serine rich repeat protein PsrP | | Descriptor: | 1,2-ETHANEDIOL, CELL WALL SURFACE ANCHOR FAMILY PROTEIN, SULFATE ION | | Authors: | Schulte, T, Loefling, J, Mikaelsson, C, Kikhney, A, Hentrich, K, Diamante, A, Ebel, C, Normark, S, Svergun, D, Henriques-Normark, B, Achour, A. | | Deposit date: | 2012-12-17 | | Release date: | 2013-12-25 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Basic Keratin 10-Binding Domain of the Virulence-Associated Pneumococcal Serine-Rich Protein Psrp Adopts a Novel Mscramm Fold.
Open Biol., 4, 2014
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4IJY
 | | Crystal Structure of the ETEC Secreted Protein CofJ | | Descriptor: | CofJ, GLYCEROL, IODIDE ION | | Authors: | Craig, L, Kolappan, S, Yuen, A.S.W. | | Deposit date: | 2012-12-24 | | Release date: | 2013-10-16 | | Last modified: | 2013-11-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and secretion of CofJ, a putative colonization factor of enterotoxigenic Escherichia coli.
Mol.Microbiol., 90, 2013
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9BNQ
 | | N-(4-(isothiocyanatomethyl)phenyl)methanesulfonamide complexed with Macrophage Migration Inhibitory Factor | | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-{[4-(methanesulfonamido)phenyl]methyl}methanethioamide, ... | | Authors: | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | | Deposit date: | 2024-05-02 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.
Chemmedchem, 2024
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5KAF
 | | RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2016-06-01 | | Release date: | 2016-11-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.00001 Å) | | Cite: | Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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4UXB
 | | Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor PJ34 | | Descriptor: | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, POLY ADP-RIBOSE POLYMERASE 1, SULFATE ION | | Authors: | Tresaugues, L, Thorsell, A.G, Karlberg, T, Schuler, H. | | Deposit date: | 2014-08-21 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
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4IG1
 | | Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, Mg(II)-AMP product bound form | | Descriptor: | ACETATE ION, ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, ... | | Authors: | Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V. | | Deposit date: | 2012-12-15 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4318 Å) | | Cite: | The TP0796 Lipoprotein of Treponema pallidum Is a Bimetal-dependent FAD Pyrophosphatase with a Potential Role in Flavin Homeostasis.
J.Biol.Chem., 288, 2013
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1JRW
 | | Solution Structure of dAATAA DNA Bulge | | Descriptor: | 5'-D(*CP*GP*TP*AP*GP*CP*CP*GP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*TP*AP*AP*GP*CP*TP*AP*CP*G)-3' | | Authors: | Gollmick, F.A, Lorenz, M, Dornberger, U, von Langen, J, Diekmann, S, Fritzsche, H. | | Deposit date: | 2001-08-15 | | Release date: | 2002-08-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of dAATAA and dAAUAA DNA bulges.
Nucleic Acids Res., 30, 2002
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5CVS
 | | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltoheptaose | | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Rashid, A.M, Syson, K, Koliwer-Brandl, H, van de Weerd, R, Stevenson, C.E.M, Batey, S.F.D, Miah, F, Alber, M, Ioerger, T.R, Chandra, G, Appelmelk, B.J, Nartowski, K.P, Khimyak, Y.Z, Lawson, D.M, Jacobs, W.R, Geurtsen, J, Kalscheuer, R, Bornemann, S. | | Deposit date: | 2015-07-27 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE.
J.Biol.Chem., 291, 2016
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2WAH
 | | Crystal Structure of an IgG1 Fc Glycoform (Man9GlcNAc2) | | Descriptor: | IG GAMMA-1 CHAIN C REGION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Crispin, M, Bowden, T.A, Coles, C.H, Harlos, K, Aricescu, A.R, Harvey, D.J, Stuart, D.I, Jones, E.Y. | | Deposit date: | 2009-02-06 | | Release date: | 2009-03-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Carbohydrate and Domain Architecture of an Immature Antibody Glycoform Exhibiting Enhanced Effector Functions
J.Mol.Biol., 387, 2009
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5V72
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with citrate | | Descriptor: | CHLORIDE ION, CITRIC ACID, GLYCEROL, ... | | Authors: | Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Matelska, D, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2017-03-17 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
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3ZLF
 | | Structure of group A Streptococcal enolase K312A mutant | | Descriptor: | ENOLASE, PHOSPHATE ION | | Authors: | Cork, A.J, Ericsson, D.J, Law, R.H.P, Casey, L.W, Valkov, E, Bertozzi, C, Stamp, A, Aquilina, J.A, Whisstock, J.C, Walker, M.J, Kobe, B. | | Deposit date: | 2013-01-31 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Stability of the Octameric Structure Affects Plasminogen-Binding Capacity of Streptococcal Enolase.
Plos One, 10, 2015
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3ZM9
 | | The mechanism of allosteric coupling in choline kinase a1 revealed by a rationally designed inhibitor | | Descriptor: | 1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium, CHOLINE KINASE ALPHA | | Authors: | Sahun-Roncero, M, Rubio-Ruiz, B, Saladino, G, Conejo-Garcia, A, Espinosa, A, Velazquez-Campoy, A, Gervasio, F.L, Entrena, A, Hurtado-Guerrero, R. | | Deposit date: | 2013-02-06 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Mechanism of Allosteric Coupling in Choline Kinase A1 Revealed by a Rationally Designed Inhibitor
Angew.Chem.Int.Ed.Engl., 52, 2013
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5CYS
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2W7Y
 | | Structure of a Streptococcus pneumoniae solute-binding protein in complex with the blood group A-trisaccharide. | | Descriptor: | IODIDE ION, PROBABLE SUGAR ABC TRANSPORTER, SUGAR-BINDING PROTEIN, ... | | Authors: | Higgins, M.A, Abbott, D.W, Boulanger, M.J, Boraston, A.B. | | Deposit date: | 2009-01-06 | | Release date: | 2009-03-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Blood-Group Antigen Recognition by a Solute-Binding Protein from a Serotype 3 Strain of Streptococcus Pneumoniae.
J.Mol.Biol., 388, 2009
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