6TUB
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![BU of 6tub by Molmil](/molmil-images/mine/6tub) | Beta-endorphin amyloid fibril | Descriptor: | Beta-endorphin | Authors: | Verasdonck, J, Seuring, C, Gath, J, Ghosh, D, Nespovitaya, N, Waelti, M.A, Maji, S, Cadalbert, R, Boeckmann, A, Guentert, P, Meier, B.H, Riek, R. | Deposit date: | 2020-01-05 | Release date: | 2020-10-28 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | The three-dimensional structure of human beta-endorphin amyloid fibrils. Nat.Struct.Mol.Biol., 27, 2020
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2MWR
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![BU of 2mwr by Molmil](/molmil-images/mine/2mwr) | Solution Structure of Acidocin B, a Circular Bacteriocin from Lactobacillus acidophilus M46 | Descriptor: | Acidocin B | Authors: | Vederas, J.C, Acedo, J.Z, van Belkum, M.J, Lohans, C.T. | Deposit date: | 2014-11-19 | Release date: | 2015-03-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution Structure of Acidocin B, a Circular Bacteriocin Produced by Lactobacillus acidophilus M46. Appl.Environ.Microbiol., 81, 2015
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3DAP
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![BU of 3dap by Molmil](/molmil-images/mine/3dap) | C. GLUTAMICUM DAP DEHYDROGENASE IN COMPLEX WITH NADP+ AND THE INHIBITOR 5S-ISOXAZOLINE | Descriptor: | (2S,5',S)-2-AMINO-3-(3-CARBOXY-2-ISOXAZOLIN-5-YL)PROPANOIC ACID, DIAMINOPIMELIC ACID DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Scapin, G, Cirilli, M, Reddy, S.G, Gao, Y, Vederas, J.C, Blanchard, J.S. | Deposit date: | 1997-12-29 | Release date: | 1998-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate and inhibitor binding sites in Corynebacterium glutamicum diaminopimelate dehydrogenase. Biochemistry, 37, 1998
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4XOB
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![BU of 4xob by Molmil](/molmil-images/mine/4xob) | Crystal structure of a FimH*DsF complex from E.coli K12 with bound heptyl alpha-D-mannopyrannoside | Descriptor: | FimF, Protein FimH, SULFATE ION, ... | Authors: | Jakob, R.P, Eras, J, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | Deposit date: | 2015-01-16 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun, 7, 2016
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4XOA
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![BU of 4xoa by Molmil](/molmil-images/mine/4xoa) | Crystal structure of a FimH*DsG complex from E.coli K12 in space group P1 | Descriptor: | FimG, Protein FimH | Authors: | Jakob, R.P, Eras, J, Glockshuber, R, Maier, T. | Deposit date: | 2015-01-16 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.541 Å) | Cite: | Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun, 7, 2016
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4XO8
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![BU of 4xo8 by Molmil](/molmil-images/mine/4xo8) | Crystal structure of the FimH lectin domain from E.coli K12 in complex with heptyl alpha-D-mannopyrannoside | Descriptor: | Protein FimH, heptyl alpha-D-mannopyranoside | Authors: | Jakob, R.P, Eras, J, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | Deposit date: | 2015-01-16 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun, 7, 2016
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4XO9
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![BU of 4xo9 by Molmil](/molmil-images/mine/4xo9) | Crystal structure of a FimH*DsG complex from E.coli K12 in space group C2 | Descriptor: | Minor component of type 1 fimbriae, Protein FimH | Authors: | Jakob, R.P, Eras, J, Glockshuber, R, Maier, T. | Deposit date: | 2015-01-16 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun, 7, 2016
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5IQM
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![BU of 5iqm by Molmil](/molmil-images/mine/5iqm) | Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitution Q134E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_T4R-T6R-D13N | Descriptor: | COBALT (II) ION, Protein FimF, Protein FimG | Authors: | Giese, C, Eras, J, Kern, A, Scharer, M.A, Capitani, G, Glockshuber, R. | Deposit date: | 2016-03-11 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude. Angew.Chem.Int.Ed.Engl., 55, 2016
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5IQN
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![BU of 5iqn by Molmil](/molmil-images/mine/5iqn) | Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitution Q134E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_SRIRIRGYVR | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Protein FimF, ... | Authors: | Giese, C, Eras, J, Kern, A, Scharer, M.A, Capitani, G, Glockshuber, R. | Deposit date: | 2016-03-11 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude. Angew.Chem.Int.Ed.Engl., 55, 2016
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5IQO
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![BU of 5iqo by Molmil](/molmil-images/mine/5iqo) | Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitutions Q134E and S138E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_T4R-T6R-D13N | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, PENTAETHYLENE GLYCOL, ... | Authors: | Giese, C, Eras, J, Kern, A, Capitani, G, Glockshuber, R. | Deposit date: | 2016-03-11 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.302 Å) | Cite: | Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude. Angew.Chem.Int.Ed.Engl., 55, 2016
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3LEU
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![BU of 3leu by Molmil](/molmil-images/mine/3leu) | HIGH RESOLUTION 1H NMR STUDY OF LEUCOCIN A IN DODECYLPHOSPHOCHOLINE MICELLES, 19 STRUCTURES (1:40 RATIO OF LEUCOCIN A:DPC) (0.1% TFA) | Descriptor: | LEUCOCIN A | Authors: | Gallagher, N.L.F, Sailer, M, Niemczura, W.P, Nakashima, T.T, Stiles, M.E, Vederas, J.C. | Deposit date: | 1997-05-20 | Release date: | 1997-11-26 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of leucocin A in trifluoroethanol and dodecylphosphocholine micelles: spatial location of residues critical for biological activity in type IIa bacteriocins from lactic acid bacteria. Biochemistry, 36, 1997
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1F06
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![BU of 1f06 by Molmil](/molmil-images/mine/1f06) | THREE DIMENSIONAL STRUCTURE OF THE TERNARY COMPLEX OF CORYNEBACTERIUM GLUTAMICUM DIAMINOPIMELATE DEHYDROGENASE NADPH-L-2-AMINO-6-METHYLENE-PIMELATE | Descriptor: | L-2-AMINO-6-METHYLENE-PIMELIC ACID, MESO-DIAMINOPIMELATE D-DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cirilli, M, Scapin, G, Sutherland, A, Caplan, J.F, Vederas, J.C, Blanchard, J.S. | Deposit date: | 2000-05-14 | Release date: | 2001-05-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The three-dimensional structure of the ternary complex of Corynebacterium glutamicum diaminopimelate dehydrogenase-NADPH-L-2-amino-6-methylene-pimelate. Protein Sci., 9, 2000
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1QA7
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![BU of 1qa7 by Molmil](/molmil-images/mine/1qa7) | CRYSTAL COMPLEX OF THE 3C PROTEINASE FROM HEPATITIS A VIRUS WITH ITS INHIBITOR AND IMPLICATIONS FOR THE POLYPROTEIN PROCESSING IN HAV | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, HAV 3C PROTEINASE, ... | Authors: | Bergmann, E.M, Cherney, M.M, Mckendrick, J, Vederas, J.C, James, M.N.G. | Deposit date: | 1999-04-15 | Release date: | 1999-04-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of an inhibitor complex of the 3C proteinase from hepatitis A virus (HAV) and implications for the polyprotein processing in HAV. Virology, 265, 1999
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1PXQ
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![BU of 1pxq by Molmil](/molmil-images/mine/1pxq) | Structure of Subtilisin A | Descriptor: | Subtilisin A | Authors: | Kawulka, K.E, Sprules, T, McKay, R.T, Mercier, P, Diaper, C.M, Zuber, P, Vederas, J.C. | Deposit date: | 2003-07-04 | Release date: | 2004-06-22 | Last modified: | 2011-10-05 | Method: | SOLUTION NMR | Cite: | Structure of subtilisin A, a cyclic antimicrobial peptide from Bacillus subtilis with unusual sulfur to alpha-carbon cross-links: formation and reduction of alpha-thio-alpha-amino acid derivatives Biochemistry, 43, 2004
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4X4J
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![BU of 4x4j by Molmil](/molmil-images/mine/4x4j) | Structural and Functional Studies of BexE: Insights into Oxidation During BE-7585A Biosynthesis | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative oxygenase, SULFATE ION | Authors: | Tsai, S.-C, Jackson, D.R, Patel, A, Barajas, J.F, Rohr, J, Yu, X, Liu, H.-W, Sasaki, E, Calveras, J, Metsa-Ketela, M. | Deposit date: | 2014-12-02 | Release date: | 2015-12-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural and Functional Studies of BexE: Insights into Oxidation During BE-7585A Biosynthesis To Be Published
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5KGZ
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![BU of 5kgz by Molmil](/molmil-images/mine/5kgz) | Phenol-soluble modulin Beta2 | Descriptor: | Modulin Beta2 | Authors: | Towle, K.M, Lohans, C.T, Acedo, J.Z, Van Belkum, M.J, Miskolzie, M, Vederas, J.C. | Deposit date: | 2016-06-13 | Release date: | 2016-08-31 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structures of Phenol-Soluble Modulins alpha 1, alpha 3, and beta 2, Virulence Factors from Staphylococcus aureus. Biochemistry, 55, 2016
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5KGY
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![BU of 5kgy by Molmil](/molmil-images/mine/5kgy) | Phenol-soluble modulin Alpha 3 | Descriptor: | Phenol-soluble modulin alpha 3 peptide | Authors: | Towle, K.M, Lohans, C.T, Acedo, J.Z, Van Belkum, M.J, Miskolzie, M, Vederas, J.C. | Deposit date: | 2016-06-13 | Release date: | 2016-08-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution Structures of Phenol-Soluble Modulins alpha 1, alpha 3, and beta 2, Virulence Factors from Staphylococcus aureus. Biochemistry, 55, 2016
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5KHB
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![BU of 5khb by Molmil](/molmil-images/mine/5khb) | Structure of Phenol-soluble modulin Alpha1 | Descriptor: | PSM Alpha1 | Authors: | Towle, K.M, Lohans, C.T, Acedo, J.Z, Miskolzie, M, van Belkum, M.J, Vederas, J.C. | Deposit date: | 2016-06-14 | Release date: | 2016-08-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution Structures of Phenol-Soluble Modulins alpha 1, alpha 3, and beta 2, Virulence Factors from Staphylococcus aureus. Biochemistry, 55, 2016
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2A4O
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![BU of 2a4o by Molmil](/molmil-images/mine/2a4o) | Dual modes of modification of Hepatitis A virus 3C protease by a serine derived beta-lactone: selective crytstallization and high resolution structure of the His102 adduct | Descriptor: | ACETYL GROUP, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, PHENYLALANINE AMIDE, ... | Authors: | Yin, J, Bergmann, E.M, Cherney, M.M, Lall, M.S, Jain, R.P, Vederas, J.C, James, M.N.G. | Deposit date: | 2005-06-29 | Release date: | 2005-12-27 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Dual Modes of Modification of Hepatitis A Virus 3C Protease by a Serine-derived beta-Lactone: Selective Crystallization and Formation of a Functional Catalytic Triad in the Active Site J.MOL.BIOL., 354, 2005
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5UZL
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![BU of 5uzl by Molmil](/molmil-images/mine/5uzl) | Brassica napus DGAT1 exosite | Descriptor: | O-acyltransferase | Authors: | Acedo, J.Z, Vederas, J.C. | Deposit date: | 2017-02-26 | Release date: | 2018-01-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Diacylglycerol Acyltransferase 1 Is Regulated by Its N-Terminal Domain in Response to Allosteric Effectors. Plant Physiol., 175, 2017
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2LEU
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![BU of 2leu by Molmil](/molmil-images/mine/2leu) | HIGH RESOLUTION 1H NMR STUDY OF LEUCOCIN A IN 90% AQUEOUS TRIFLUOROETHANOL (TFE) (0.1% TFA), 18 STRUCTURES | Descriptor: | LEUCOCIN A | Authors: | Gallagher, N.L.F, Sailer, M, Niemczura, W.P, Nakashima, T.T, Stiles, M.E, Vederas, J.C. | Deposit date: | 1997-05-20 | Release date: | 1997-11-26 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Three-dimensional structure of leucocin A in trifluoroethanol and dodecylphosphocholine micelles: spatial location of residues critical for biological activity in type IIa bacteriocins from lactic acid bacteria. Biochemistry, 36, 1997
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2N4K
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![BU of 2n4k by Molmil](/molmil-images/mine/2n4k) | Solution Structure of Enterocin HF, an Antilisterial Bacteriocin Produced by Enterococcus faecium M3K31 | Descriptor: | Enterocin-HF | Authors: | Arbulu, S, Lohans, C.T, van Belkum, M.J, Cintas, L.M, Herranz, C, Vederas, J.C, Hernandez, P.E. | Deposit date: | 2015-06-21 | Release date: | 2015-12-02 | Last modified: | 2016-01-06 | Method: | SOLUTION NMR | Cite: | Solution Structure of Enterocin HF, an Antilisterial Bacteriocin Produced by Enterococcus faecium M3K31. J.Agric.Food Chem., 63, 2015
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5UJQ
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![BU of 5ujq by Molmil](/molmil-images/mine/5ujq) | NMR Solution Structure of the Two-component Bacteriocin CbnXY | Descriptor: | Bacteriocin | Authors: | Acedo, J.Z, Towle, K.M, Lohans, C.T, McKay, R.T, Miskolzie, M, Doerksen, T, Vederas, J.C, Martin-Visscher, L.A. | Deposit date: | 2017-01-18 | Release date: | 2017-11-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Identification and three-dimensional structure of carnobacteriocin XY, a class IIb bacteriocin produced by Carnobacteria. FEBS Lett., 591, 2017
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5UJR
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![BU of 5ujr by Molmil](/molmil-images/mine/5ujr) | NMR Solution Structure of the Two-component Bacteriocin CbnXY | Descriptor: | Bacteriocin | Authors: | Acedo, J.Z, Towle, K.M, Lohans, C.T, McKay, R.T, Miskolzie, M, Doerksen, T, Vederas, J.C, Martin-Visscher, L.A. | Deposit date: | 2017-01-18 | Release date: | 2017-11-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Identification and three-dimensional structure of carnobacteriocin XY, a class IIb bacteriocin produced by Carnobacteria. FEBS Lett., 591, 2017
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2Q9J
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![BU of 2q9j by Molmil](/molmil-images/mine/2q9j) | Crystal structure of the C217S mutant of diaminopimelate epimerase | Descriptor: | 1,2-ETHANEDIOL, Diaminopimelate epimerase, SULFATE ION | Authors: | Pillai, B, Cherney, M, Diaper, C.M, Sutherland, A, Blanchard, J.S, Vederas, J.C. | Deposit date: | 2007-06-12 | Release date: | 2007-10-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dynamics of catalysis revealed from the crystal structures of mutants of diaminopimelate epimerase. Biochem.Biophys.Res.Commun., 363, 2007
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