1HHU
 
 | | Balhimycin in complex with D-Ala-D-Ala | | Descriptor: | (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, BALHIMYCIN, ... | | Authors: | Lehmann, C, Bunkoczi, G, Sheldrick, G.M, Vertessy, L. | | Deposit date: | 2000-12-28 | | Release date: | 2003-09-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Structures of Glycopeptide Antibiotics with Peptides that Model Bacterial Cell-Wall Precursors
J.Mol.Biol., 318, 2002
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1HHZ
 | | Deglucobalhimycin in complex with cell wall pentapeptide | | Descriptor: | (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol, CELL WALL PEPTIDE, DEGLUCOBALHIMYCIN, ... | | Authors: | Lehmann, C, Bunkoczi, G, Sheldrick, G.M, Vertesy, L. | | Deposit date: | 2000-12-29 | | Release date: | 2003-09-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Structures of Glycopeptide Antibiotics with Peptides that Model Bacterial Cell-Wall Precursors
J.Mol.Biol., 318, 2002
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1HHY
 | | Deglucobalhimycin in complex with D-Ala-D-Ala | | Descriptor: | (2R,4S,6S)-4-azanyl-4,6-dimethyl-oxane-2,5,5-triol, D-ALANINE, DEGLUCOBALHIMYCIN, ... | | Authors: | Lehmann, C, Bunkoczi, G, Sheldrick, G.M, Vertesy, L. | | Deposit date: | 2000-12-29 | | Release date: | 2003-09-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Structures of Glycopeptide Antibiotics with Peptides that Model Bacterial Cell-Wall Precursors
J.Mol.Biol., 318, 2002
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1LU0
 | | Atomic Resolution Structure of Squash Trypsin Inhibitor: Unexpected Metal Coordination | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Thaimattam, R, Tykarska, E, Bierzynski, A, Sheldrick, G.M, Jaskolski, M. | | Deposit date: | 2002-05-21 | | Release date: | 2002-08-28 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Atomic resolution structure of squash trypsin inhibitor: unexpected metal coordination.
Acta Crystallogr.,Sect.D, 58, 2002
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1LZ8
 | | LYSOZYME PHASED ON ANOMALOUS SIGNAL OF SULFURS AND CHLORINES | | Descriptor: | CHLORIDE ION, PROTEIN (LYSOZYME), SODIUM ION | | Authors: | Dauter, Z, Dauter, M, De La Fortelle, E, Bricogne, G, Sheldrick, G.M. | | Deposit date: | 1999-03-14 | | Release date: | 1999-05-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Can anomalous signal of sulfur become a tool for solving protein crystal structures?
J.Mol.Biol., 289, 1999
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1M32
 | | Crystal Structure of 2-aminoethylphosphonate Transaminase | | Descriptor: | 2-aminoethylphosphonate-pyruvate aminotransferase, PHOSPHATE ION, PHOSPHONOACETALDEHYDE, ... | | Authors: | Chen, C.C.H, Zhang, H, Kim, A.D, Howard, A, Sheldrick, G.M, Mariano-Dunnaway, D, Herzberg, O. | | Deposit date: | 2002-06-26 | | Release date: | 2002-11-20 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Degradation Pathway of the Phosphonate Ciliatine: Crystal Structure of 2-Aminoethylphosphonate Transaminase
Biochemistry, 41, 2002
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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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3ITI
 | | Structure of bovine trypsin with the MAD triangle B3C | | Descriptor: | 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid, BENZAMIDINE, CALCIUM ION, ... | | Authors: | Beck, T, da Cunha, C.E, Sheldrick, G.M. | | Deposit date: | 2009-08-28 | | Release date: | 2009-10-27 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | How to get the magic triangle and the MAD triangle into your protein crystal.
Acta Crystallogr.,Sect.F, 65, 2009
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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: | 2017-11-01 | | 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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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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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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2ADW
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284D
 | | THE BI-LOOP, A NEW GENERAL FOUR-STRANDED DNA MOTIF | | Descriptor: | BARIUM ION, DNA (5'-CD(*P*AP*TP*TP*CP*AP*TP*TP*C)-3'), SODIUM ION | | Authors: | Salisbury, S.A, Wilson, S.E, Powell, H.R, Kennard, O, Lubini, P, Sheldrick, G.M, Escaja, N, Alazzouzi, E, Grandas, A, Pedroso, E. | | Deposit date: | 1996-09-11 | | Release date: | 1997-06-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The bi-loop, a new general four-stranded DNA motif.
Proc.Natl.Acad.Sci.USA, 94, 1997
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2CG6
 | | Second and third fibronectin type I module pair (crystal form I). | | Descriptor: | HUMAN FIBRONECTIN, SULFATE ION | | Authors: | Rudino-Pinera, E, Ravelli, R.B.G, Sheldrick, G.M, Nanao, M.H, Werner, J.M, Schwarz-Linek, U, Potts, J.R, Garman, E.F. | | Deposit date: | 2006-02-27 | | Release date: | 2007-02-27 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Solution and Crystal Structures of a Module Pair from the Staphylococcus Aureus-Binding Site of Human Fibronectin-A Tale with a Twist.
J.Mol.Biol., 368, 2007
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2CM5
 | | crystal structure of the C2B domain of rabphilin | | Descriptor: | CALCIUM ION, RABPHILIN-3A | | Authors: | Schlicker, C, Montaville, P, Sheldrick, G.M, Becker, S. | | Deposit date: | 2006-05-04 | | Release date: | 2006-12-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | The C2A-C2B Linker Defines the High Affinity Ca2+ Binding Mode of Rabphilin-3A.
J.Biol.Chem., 282, 2007
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2CHD
 | | Crystal structure of the C2A domain of Rabphilin-3A | | Descriptor: | GLYCEROL, RABPHILIN-3A | | Authors: | Biadene, M, Montaville, P, Sheldrick, G.M, Becker, S. | | Deposit date: | 2006-03-14 | | Release date: | 2006-06-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure of the C2A Domain of Rabphilin-3A.
Acta Crystallogr.,Sect.D, 62, 2006
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2CM6
 | | crystal structure of the C2B domain of rabphilin3A | | Descriptor: | CALCIUM ION, PHOSPHATE ION, RABPHILIN-3A | | Authors: | Schlicker, C, Montaville, P, Sheldrick, G.M, Becker, S. | | Deposit date: | 2006-05-04 | | Release date: | 2006-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The C2A-C2B Linker Defines the High Affinity Ca2+ Binding Mode of Rabphilin-3A.
J.Biol.Chem., 282, 2007
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2CG7
 | | SECOND AND THIRD FIBRONECTIN TYPE I MODULE PAIR (CRYSTAL FORM II). | | Descriptor: | FIBRONECTIN | | Authors: | Rudino-Pinera, E, Ravelli, R.B.G, Sheldrick, G.M, Nanao, M.H, Werner, J.M, Schwarz-Linek, U, Potts, J.R, Garman, E.F. | | Deposit date: | 2006-02-27 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Solution and Crystal Structures of a Module Pair from the Staphylococcus Aureus-Binding Site of Human Fibronectin-A Tale with a Twist.
J.Mol.Biol., 368, 2007
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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: | 2012-04-11 | | 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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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: | 2017-10-25 | | 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: | 2017-10-25 | | 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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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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4MIV
 | | Crystal Structure of Sulfamidase, Crystal Form L | | 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, Sheldrick, G.M, Gaertner, J, Kraetzner, R, Steinfeld, R. | | Deposit date: | 2013-09-02 | | Release date: | 2014-05-14 | | Last modified: | 2021-06-02 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of sulfamidase provides insight into the molecular pathology of mucopolysaccharidosis IIIA.
Acta Crystallogr.,Sect.D, 70, 2014
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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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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: | 2023-08-09 | | 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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