1ZOR
 
 | | Isocitrate dehydrogenase from the hyperthermophile Thermotoga maritima | | Descriptor: | SODIUM ION, isocitrate dehydrogenase | | Authors: | Karlstrom, M, Steen, I.H, Birkeland, N.-K, Ladenstein, R. | | Deposit date: | 2005-05-13 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | The crystal structure of a hyperthermostable subfamily II isocitrate dehydrogenase from Thermotoga maritima.
Febs J., 273, 2006
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3FY5
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1XFN
 | | NMR structure of the ground state of the photoactive yellow protein lacking the N-terminal part | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Bernard, C, Houben, K, Derix, N.M, Marks, D, van der Horst, M.A, Hellingwerf, K.J, Boelens, R, Kaptein, R, van Nuland, N.A. | | Deposit date: | 2004-09-15 | | Release date: | 2005-08-16 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | The solution structure of a transient photoreceptor intermediate: delta25 photoactive yellow protein
STRUCTURE, 13, 2005
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1XKD
 | | Ternary complex of Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix | | Descriptor: | CALCIUM ION, ISOCITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Karlstrom, M, Stokke, R, Steen, I.H, Birkeland, N.-K, Ladenstein, R. | | Deposit date: | 2004-09-28 | | Release date: | 2005-10-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Isocitrate dehydrogenase from the hyperthermophile Aeropyrum pernix: X-ray structure analysis of a ternary enzyme-substrate complex and thermal stability.
J.Mol.Biol., 345, 2005
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3PCF
 | | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-FLURO-4-HYDROXYBENZOATE | | Descriptor: | 3-FLUORO-4-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ... | | Authors: | Orville, A.M, Elango, N, Lipscomb, J.D, Ohlendorf, D.H. | | Deposit date: | 1997-06-27 | | Release date: | 1998-01-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
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1Z0Q
 | | Aqueous Solution Structure of the Alzheimer's Disease Abeta Peptide (1-42) | | Descriptor: | Alzheimer's disease amyloid | | Authors: | Tomaselli, S, Esposito, V, Vangone, P, van Nuland, N.A, Bonvin, A.M, Guerrini, R, Tancredi, T, Temussi, P.A, Picone, D. | | Deposit date: | 2005-03-02 | | Release date: | 2006-05-23 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The alpha-to-beta Conformational Transition of Alzheimer's Abeta-(1-42) Peptide in Aqueous Media is Reversible: A Step by Step Conformational Analysis Suggests the Location of beta Conformation Seeding
Chembiochem, 7, 2006
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3HH7
 | | Structural and Functional Characterization of a Novel Homodimeric Three-finger Neurotoxin from the Venom of Ophiophagus hannah (King Cobra) | | Descriptor: | Muscarinic toxin-like protein 3 homolog | | Authors: | Roy, A, Zhou, X, Chong, M.Z, D'hoedt, D, Foo, C.S, Rajagopalan, N, Nirthanan, S, Bertrand, D, Sivaraman, J, Kini, R.M. | | Deposit date: | 2009-05-15 | | Release date: | 2010-01-12 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and Functional Characterization of a Novel Homodimeric Three-finger Neurotoxin from the Venom of Ophiophagus hannah (King Cobra)
J.Biol.Chem., 285, 2010
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3PCI
 | | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-IODO-4-HYDROXYBENZOATE | | Descriptor: | 3-IODO-4-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ... | | Authors: | Orville, A.M, Elango, N, Lipscomb, J.D, Ohlendorf, D.H. | | Deposit date: | 1997-07-02 | | Release date: | 1998-01-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
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3PCH
 | | STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-CHLORO-4-HYDROXYBENZOATE | | Descriptor: | 3-CHLORO-4-HYDROXYBENZOIC ACID, BETA-MERCAPTOETHANOL, FE (III) ION, ... | | Authors: | Orville, A.M, Elango, N, Lipscomb, J.D, Ohlendorf, D.H. | | Deposit date: | 1997-07-01 | | Release date: | 1998-01-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
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2BS5
 | | LECTIN FROM RALSTONIA SOLANACEARUM COMPLEXED WITH 2-FUCOSYLLACTOSE | | Descriptor: | CHLORIDE ION, FUCOSE-BINDING LECTIN PROTEIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Mitchell, E.P, Kostlanova, N, Wimmerova, M, Imberty, A. | | Deposit date: | 2005-05-18 | | Release date: | 2005-05-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Fucose-Binding Lectin from Ralstonia Solanacearum: A New Type of {Beta}-Propeller Architecture Formed by Oligomerization and Interacting with Fucoside, Fucosyllactose, and Plant Xyloglucan.
J.Biol.Chem., 280, 2005
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2MRN
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4M3E
 | | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | | Descriptor: | 4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | | Deposit date: | 2013-08-06 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.109 Å) | | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
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2MRU
 | | Structure of truncated EcMazE-DNA complex | | Descriptor: | Antitoxin MazE, DNA (5'-D(*CP*GP*TP*GP*AP*TP*AP*TP*AP*TP*AP*GP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*CP*TP*AP*TP*AP*TP*AP*TP*CP*AP*CP*G)-3') | | Authors: | Zorzini, V, Buts, L, Loris, R, van Nuland, N. | | Deposit date: | 2014-07-15 | | Release date: | 2015-02-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Escherichia coli antitoxin MazE as transcription factor: insights into MazE-DNA binding.
Nucleic Acids Res., 43, 2015
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4M3B
 | | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | | Descriptor: | 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | | Deposit date: | 2013-08-06 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
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4MZM
 | | MazF from S. aureus crystal form I, P212121, 2.1 A | | Descriptor: | mRNA interferase MazF | | Authors: | Zorzini, V, Loris, R, van Nuland, N.A.J, Cheung, A. | | Deposit date: | 2013-09-30 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biophysical characterization of Staphylococcus aureus SaMazF shows conservation of functional dynamics.
Nucleic Acids Res., 42, 2014
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2MRJ
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4M3F
 | | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | | Descriptor: | HTH-type transcriptional regulator EthR, N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide | | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | | Deposit date: | 2013-08-06 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
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4M3D
 | | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | | Descriptor: | 4-{3-[(phenylsulfonyl)amino]prop-1-yn-1-yl}-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR | | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | | Deposit date: | 2013-08-06 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
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4LOV
 | | Crystal structure of FimH in complex with Heptylmannoside | | Descriptor: | GLYCEROL, Protein FimH, SODIUM ION, ... | | Authors: | Garcia-Pino, A, Vanwetswinkel, S, van Nuland, N. | | Deposit date: | 2013-07-13 | | Release date: | 2014-02-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Study of the Structural and Dynamic Effects in the FimH Adhesin upon alpha-d-Heptyl Mannose Binding.
J.Med.Chem., 57, 2014
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1L0W
 | | Aspartyl-tRNA synthetase-1 from space-grown crystals | | Descriptor: | Aspartyl-tRNA synthetase | | Authors: | Ng, J.D, Sauter, C, Lorber, B, Kirkland, N, Arnez, J, Giege, R. | | Deposit date: | 2002-02-14 | | Release date: | 2002-03-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Comparative analysis of space-grown and earth-grown crystals of an aminoacyl-tRNA synthetase: space-grown crystals are more useful for structural determination.
Acta Crystallogr.,Sect.D, 58, 2002
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4M3G
 | | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | | Descriptor: | 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide, HTH-type transcriptional regulator EthR | | Authors: | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | | Deposit date: | 2013-08-06 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
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1MQX
 | | NMR Solution Structure of Type-B Lantibiotics Mersacidin in MeOH/H2O Mixture | | Descriptor: | LANTIBIOTIC MERSACIDIN | | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | | Deposit date: | 2002-09-17 | | Release date: | 2003-03-11 | | Last modified: | 2024-07-10 | | Method: | SOLUTION NMR | | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity
J.Biol.Chem., 278, 2003
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1MQY
 | | NMR solution structure of type-B lantibiotics mersacidin in DPC micelles | | Descriptor: | LANTIBIOTIC MERSACIDIN | | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | | Deposit date: | 2002-09-17 | | Release date: | 2003-03-11 | | Last modified: | 2024-07-10 | | Method: | SOLUTION NMR | | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity
J.Biol.Chem., 278, 2003
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1MQZ
 | | NMR solution structure of type-B lantibiotics mersacidin bound to lipid II in DPC micelles | | Descriptor: | LANTIBIOTIC MERSACIDIN | | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | | Deposit date: | 2002-09-17 | | Release date: | 2003-03-11 | | Last modified: | 2024-07-10 | | Method: | SOLUTION NMR | | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity
J.Biol.Chem., 278, 2003
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4MZP
 | | MazF from S. aureus crystal form III, C2221, 2.7 A | | Descriptor: | MazF mRNA interferase | | Authors: | Zorzini, V, Loris, R, van Nuland, N.A.J, Cheung, A. | | Deposit date: | 2013-09-30 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Structural and biophysical characterization of Staphylococcus aureus SaMazF shows conservation of functional dynamics.
Nucleic Acids Res., 42, 2014
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