4FEG
 
 | | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal A | | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4FEE
 | | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal B | | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3GT4
 | | Structure of proteinase K with the magic triangle I3C | | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, SULFATE ION, proteinase K | | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | | Deposit date: | 2009-03-27 | | Release date: | 2009-04-14 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The magic triangle goes MAD: experimental phasing with a bromine derivative
Acta Crystallogr.,Sect.D, 66, 2010
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3GT3
 | | Structure of proteinase K with the mad triangle B3C | | Descriptor: | 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid, Proteinase K, SULFATE ION | | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | | Deposit date: | 2009-03-27 | | Release date: | 2009-04-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The magic triangle goes MAD: experimental phasing with a bromine derivative
Acta Crystallogr.,Sect.D, 66, 2010
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3SZS
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1RQW
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3UFE
 | | Structure of transcriptional antiterminator (BGLG-family) at 1.5 A resolution | | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Grosse, C, Himmel, S, Becker, S, Sheldrick, G.M, Uson, I. | | Deposit date: | 2011-11-01 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of transcriptional antiterminator (BGLG-family) at 1.5 A resolution
To be Published
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1UNJ
 | | Crystal structure of a 7-Aminoactinomycin D complex with non-complementary DNA | | Descriptor: | 5'-D(*TP*TP*AP*GP*BRU*TP)-3', 7-AMINO-ACTINOMYCIN D | | Authors: | Alexopoulos, E.C, Klement, R, Jares-Erijman, E.A, Uson, I, Jovin, T.M, Sheldrick, G.M. | | Deposit date: | 2003-09-10 | | Release date: | 2004-12-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal and Solution Structures of 7-Amino-Actinomycin D Complexes with D(Ttagbrut), D(Ttagtt) and D(Tttagttt)
Acta Crystallogr.,Sect.D, 61, 2005
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1UNM
 | | Crystal structure of 7-Aminoactinomycin D with non-complementary DNA | | Descriptor: | 5'-D(*TP*TP*AP*GP*BRU*TP)-3', 7-AMINOACTINOMYCIN D | | Authors: | Alexopoulos, E.C, Klement, R, Jares-Erijman, E.A, Uson, I, Jovin, T.M, Sheldrick, G.M. | | Deposit date: | 2003-09-11 | | Release date: | 2004-09-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal and Solution Structures of 7-Amino-Actinomycin D Complexes with D(Ttagbrut), D(Ttagtt) and D(Tttagttt)
Acta Crystallogr.,Sect.D, 61, 2005
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1UNO
 | | Crystal structure of a d,l-alternating peptide | | Descriptor: | H-(L-TYR-D-TYR)4-LYS-OH | | Authors: | Alexopoulos, E, Kuesel, A, Uson, I, Diederichsen, U, Sheldrick, G.M. | | Deposit date: | 2003-09-11 | | Release date: | 2004-09-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Solution and Structure of an Alternating D,L-Peptide
Acta Crystallogr.,Sect.D, 60, 2004
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1W7Q
 | | Feglymycin P65 crystal form | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, FEGLYMYCIN | | Authors: | Bunkoczi, G, Vertesy, L, Sheldrick, G.M. | | Deposit date: | 2004-09-08 | | Release date: | 2005-03-08 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The Antiviral Antibiotic Feglymycin: First Direct Methods Solution of a 1000Plus Equal-Atom Structure
Angew.Chem.Int.Ed.Engl., 44, 2005
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1XVK
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1W7R
 | | Feglymycin P64 crystal form | | Descriptor: | CITRATE ANION, FEGLYMYCIN, ISOPROPYL ALCOHOL | | Authors: | Bunkoczi, G, Vertesy, L, Sheldrick, G.M. | | Deposit date: | 2004-09-08 | | Release date: | 2005-03-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Antiviral Antibiotic Feglymycin: First Direct Methods Solution of a 1000Plus Equal-Atom Structure
Angew.Chem.Int.Ed.Engl., 44, 2005
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1W3M
 | | Crystal structure of tsushimycin | | Descriptor: | CALCIUM ION, CHLORIDE ION, Delta-3isotetradecenoic acid, ... | | Authors: | Bunkoczi, G, Vertesy, L, Sheldrick, G.M. | | Deposit date: | 2004-07-16 | | Release date: | 2005-07-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structure of the lipopeptide antibiotic tsushimycin.
Acta Crystallogr. D Biol. Crystallogr., 61, 2005
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4JRD
 | | Crystal structure of the parallel double-stranded helix of poly(A) RNA | | Descriptor: | AMMONIUM ION, RNA (5'-R(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3') | | Authors: | Safaee, N, Noronha, A.M, Kozlov, G, Rodionov, D, Wilds, C.J, Sheldrick, G.M, Gehring, K. | | Deposit date: | 2013-03-21 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structure of the parallel duplex of poly(A) RNA: evaluation of a 50 year-old prediction.
Angew.Chem.Int.Ed.Engl., 52, 2013
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1XVR
 | | echinomycin (CGTACG)2 complex | | Descriptor: | 2-CARBOXYQUINOXALINE, 5'-D(*CP*GP*TP*AP*CP*G)-3', ECHINOMYCIN, ... | | Authors: | Cuesta-Seijo, J.A, Sheldrick, G.M. | | Deposit date: | 2004-10-28 | | Release date: | 2005-04-12 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structures of Complexes between Echinomycin and Duplex DNA.
Acta Crystallogr.,Sect.D, 61, 2005
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1XVN
 | | echinomycin (ACGTACGT)2 complex | | Descriptor: | 2-CARBOXYQUINOXALINE, 5'-D(*AP*CP*GP*TP*AP*CP*GP*T)-3', ECHINOMYCIN, ... | | Authors: | Cuesta-Seijo, J.A, Sheldrick, G.M. | | Deposit date: | 2004-10-28 | | Release date: | 2005-04-12 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of Complexes between Echinomycin and Duplex DNA.
Acta Crystallogr.,Sect.D, 61, 2005
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4MHX
 | | Crystal Structure of Sulfamidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Sidhu, N.S, Uson, I, Schreiber, K, Proepper, K, Becker, S, Gaertner, J, Kraetzner, R, Steinfeld, R, Sheldrick, G.M. | | Deposit date: | 2013-08-30 | | Release date: | 2014-05-14 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of sulfamidase provides insight into the molecular pathology of mucopolysaccharidosis IIIA.
Acta Crystallogr.,Sect.D, 70, 2014
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3E3S
 | | Structure of thaumatin with the magic triangle I3C | | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, L(+)-TARTARIC ACID, POTASSIUM ION, ... | | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | | Deposit date: | 2008-08-08 | | Release date: | 2008-10-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A magic triangle for experimental phasing of macromolecules
Acta Crystallogr.,Sect.D, 64, 2008
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3E3D
 | | Structure of hen egg white lysozyme with the magic triangle I3C | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Lysozyme C | | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | | Deposit date: | 2008-08-07 | | Release date: | 2008-10-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A magic triangle for experimental phasing of macromolecules
Acta Crystallogr.,Sect.D, 64, 2008
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3E3T
 | | Structure of porcine pancreatic elastase with the magic triangle I3C | | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Elastase-1, IODIDE ION, ... | | Authors: | Beck, T, Gruene, T, Sheldrick, G.M. | | Deposit date: | 2008-08-08 | | Release date: | 2008-10-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A magic triangle for experimental phasing of macromolecules
Acta Crystallogr.,Sect.D, 64, 2008
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3MBC
 | | Crystal structure of monomeric isocitrate dehydrogenase from Corynebacterium glutamicum in complex with NADP | | Descriptor: | Isocitrate dehydrogenase [NADP], MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Sidhu, N.S, Aich, S, Sheldrick, G.M, Delbaere, L.T.J. | | Deposit date: | 2010-03-25 | | Release date: | 2011-04-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a highly NADP+-specific isocitrate dehydrogenase.
Acta Crystallogr.,Sect.D, 67, 2011
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3MBS
 | | Crystal structure of 8mer PNA | | Descriptor: | 1,2-ETHANEDIOL, Peptide Nucleic Acid | | Authors: | Yeh, J.I, Pohl, E, Truan, D, He, W, Sheldrick, G.M, Achim, C. | | Deposit date: | 2010-03-26 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | The crystal structure of non-modified and bipyridine-modified PNA duplexes.
Chemistry, 16, 2010
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3MBU
 | | Structure of a bipyridine-modified PNA duplex | | Descriptor: | 1,2-ETHANEDIOL, Bipyridine-PNA, CARBONATE ION, ... | | Authors: | Yeh, J.I, Pohl, E, Truan, D, He, W, Sheldrick, G.M, Du, S, Achim, C. | | Deposit date: | 2010-03-26 | | Release date: | 2011-03-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | The crystal structure of non-modified and bipyridine-modified PNA duplexes.
Chemistry, 16, 2010
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3SIL
 | | SIALIDASE FROM SALMONELLA TYPHIMURIUM | | Descriptor: | GLYCEROL, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Garman, E.F, Sheldrick, G.M. | | Deposit date: | 1998-07-07 | | Release date: | 1998-11-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | An Enzyme at Atomic Resolution: The 1.05 A Structure of Salmonella Typhimurium Neuraminidase (Sialidase)
To be Published
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