4AFJ
 
 | | 5-aryl-4-carboxamide-1,3-oxazoles: potent and selective GSK-3 inhibitors | | Descriptor: | 5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE, GLYCEROL, GLYCOGEN SYNTHASE KINASE-3 BETA, ... | | Authors: | Gentile, G, Merlo, G, Pozzan, A, Bernasconi, G, Bax, B, Bamborough, P, Bridges, A, Carter, P, Neu, M, Yao, G, Brough, C, Cutler, G, Coffin, A, Belyanskaya, S. | | Deposit date: | 2012-01-19 | | Release date: | 2012-02-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | 5-Aryl-4-Carboxamide-1,3-Oxazoles: Potent and Selective Gsk-3 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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1KCP
 | | 3D STRUCTURE OF K-CONOTOXIN PVIIA, A NOVEL POTASSIUM CHANNEL-BLOCKING TOXIN FROM CONE SNAILS, NMR, 22 STRUCTURES | | Descriptor: | KAPPA-CONOTOXIN PVIIA | | Authors: | Savarin, P, Guenneugues, M, Gilquin, B, Lamthanh, H, Gasparini, S, Zinn-Justin, S, Menez, A. | | Deposit date: | 1998-01-27 | | Release date: | 1998-10-14 | | Last modified: | 2017-11-29 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of kappa-conotoxin PVIIA, a novel potassium channel-blocking toxin from cone snails.
Biochemistry, 37, 1998
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1KJT
 | | Crystal Structure of the GABA(A) Receptor Associated Protein, GABARAP | | Descriptor: | GABARAP, NICKEL (II) ION, SODIUM ION | | Authors: | Bavro, V.N, Sola, M, Bracher, A, Kneussel, M, Betz, H, Weissenhorn, W. | | Deposit date: | 2001-12-05 | | Release date: | 2002-04-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the GABA(A)-receptor-associated protein, GABARAP.
EMBO Rep., 3, 2002
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1DXM
 | | Reduced form of the H protein from glycine decarboxylase complex | | Descriptor: | DIHYDROLIPOIC ACID, H PROTEIN | | Authors: | Faure, M, Cohen-Addad, C, Neuburger, M, Douce, R. | | Deposit date: | 2000-01-10 | | Release date: | 2000-07-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Interaction between the Lipoamide-Containing H-Protein and the Lipoamide Dehydrogenase (L-Protein) of the Glycine Decarboxylase Multienzyme System. 2. Crystal Structure of H- and L-Proteins
Eur.J.Biochem., 267, 2000
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1DXL
 | | Dihydrolipoamide dehydrogenase of glycine decarboxylase from Pisum Sativum | | Descriptor: | DIHYDROLIPOAMIDE DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Faure, M, Cohen-Addad, C, Bourguignon, J, Macherel, D, Neuburger, M, Douce, R. | | Deposit date: | 2000-01-10 | | Release date: | 2000-07-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Interaction between the Lipoamide-Containing H-Protein and the Lipoamide Dehydrogenase (L-Protein) of the Glycine Decarboxylase Multienzyme System. 2. Crystal Structure of H- and L-Proteins
Eur.J.Biochem., 267, 2000
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1CMR
 | | NMR SOLUTION STRUCTURE OF A CHIMERIC PROTEIN, DESIGNED BY TRANSFERRING A FUNCTIONAL SNAKE BETA-HAIRPIN INTO A SCORPION ALPHA/BETA SCAFFOLD (PH 3.5, 20C), NMR, 18 STRUCTURES | | Descriptor: | CHARYBDOTOXIN, ALPHA CHIMERA | | Authors: | Zinn-Justin, S, Guenneugues, M, Drakopoulou, E, Gilquin, B, Vita, C, Menez, A. | | Deposit date: | 1996-03-15 | | Release date: | 1996-08-01 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | Transfer of a beta-hairpin from the functional site of snake curaremimetic toxins to the alpha/beta scaffold of scorpion toxins: three-dimensional solution structure of the chimeric protein.
Biochemistry, 35, 1996
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1BAH
 | | A TWO DISULFIDE DERIVATIVE OF CHARYBDOTOXIN WITH DISULFIDE 13-33 REPLACED BY TWO ALPHA-AMINOBUTYRIC ACIDS, NMR, 30 STRUCTURES | | Descriptor: | CHARYBDOTOXIN | | Authors: | Song, J, Gilquin, B, Jamin, N, Guenneugues, M, Dauplais, M, Vita, C, Menez, A. | | Deposit date: | 1996-06-06 | | Release date: | 1997-01-11 | | Last modified: | 2020-01-15 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of a two-disulfide derivative of charybdotoxin: structural evidence for conservation of scorpion toxin alpha/beta motif and its hydrophobic side chain packing.
Biochemistry, 36, 1997
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1D1N
 | | SOLUTION STRUCTURE OF THE FMET-TRNAFMET BINDING DOMAIN OF BECILLUS STEAROTHERMOPHILLUS TRANSLATION INITIATION FACTOR IF2 | | Descriptor: | INITIATION FACTOR 2 | | Authors: | Meunier, S, Spurio, S, Czisch, M, Wechselberger, R, Gueunneugues, M. | | Deposit date: | 1999-09-20 | | Release date: | 2000-09-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the fMet-tRNA(fMet)-binding domain of B. stearothermophilus initiation factor IF2.
EMBO J., 19, 2000
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1HPC
 | | REFINED STRUCTURES AT 2 ANGSTROMS AND 2.2 ANGSTROMS OF THE TWO FORMS OF THE H-PROTEIN, A LIPOAMIDE-CONTAINING PROTEIN OF THE GLYCINE DECARBOXYLASE | | Descriptor: | 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid, H PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM, LIPOIC ACID | | Authors: | Pares, S, Cohen-Addad, C, Sieker, L, Neuburger, M, Douce, R. | | Deposit date: | 1994-02-17 | | Release date: | 1995-05-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Refined structures at 2 and 2.2 A resolution of two forms of the H-protein, a lipoamide-containing protein of the glycine decarboxylase complex.
Acta Crystallogr.,Sect.D, 51, 1995
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1BF0
 | | CALCICLUDINE (CAC) FROM GREEN MAMBA DENDROASPIS ANGUSTICEPS, NMR, 15 STRUCTURES | | Descriptor: | CALCICLUDINE | | Authors: | Gilquin, B, Lecoq, A, Desne, F, Guenneugues, M, Zinn-Justin, S, Menez, A. | | Deposit date: | 1998-05-26 | | Release date: | 1999-01-13 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Conformational and functional variability supported by the BPTI fold: solution structure of the Ca2+ channel blocker calcicludine.
Proteins, 34, 1999
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1P0A
 | | NMR structure of ETD135, mutant of the antifungal defensin ARD1 from Archaeoprepona demophon | | Descriptor: | DEFENSIN ARD1 | | Authors: | Landon, C, Guenneugues, M, Barbault, F, Legrain, M, Menin, L, Schott, V, Vovelle, F, Dimarcq, J.L. | | Deposit date: | 2003-04-10 | | Release date: | 2004-03-09 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Lead optimization of antifungal peptides with 3D NMR structures analysis.
Protein Sci., 13, 2004
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1OZZ
 | | NMR structure of antifungal defensin ARD1 from Archaeoprepona demophon | | Descriptor: | defensin ARD1 | | Authors: | Landon, C, Guenneugues, M, Barbault, F, Legrain, M, Menin, L, Schott, V, Vovelle, F, Dimarcq, J.L. | | Deposit date: | 2003-04-10 | | Release date: | 2004-03-09 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Lead optimization of antifungal peptides with 3D NMR structures analysis.
Protein Sci., 13, 2004
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1P00
 | | NMR structure of ETD151, mutant of the antifungal defensin ARD1 from Archaeoprepona demophon | | Descriptor: | defensin ARD1 | | Authors: | Landon, C, Guenneugues, M, Barbault, F, Legrain, M, Menin, L, Schott, V, Vovelle, F, Dimarcq, J.L. | | Deposit date: | 2003-04-10 | | Release date: | 2004-03-09 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Lead optimization of antifungal peptides with 3D NMR structures analysis.
Protein Sci., 13, 2004
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1FBX
 | | CRYSTAL STRUCTURE OF ZINC-CONTAINING E.COLI GTP CYCLOHYDROLASE I | | Descriptor: | CHLORIDE ION, GTP CYCLOHYDROLASE I, ZINC ION | | Authors: | Auerbach, G, Herrmann, A, Bracher, A, Bader, A, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A. | | Deposit date: | 2000-07-17 | | Release date: | 2001-02-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1FB1
 | | CRYSTAL STRUCTURE OF HUMAN GTP CYCLOHYDROLASE I | | Descriptor: | GTP CYCLOHYDROLASE I, ISOPROPYL ALCOHOL, ZINC ION | | Authors: | Auerbach, G, Herrmann, A, Bracher, A, Bader, G, Gutlich, M, Fischer, M, Neukamm, M, Nar, H, Garrido-Franco, M, Richardson, J, Huber, R, Bacher, A. | | Deposit date: | 2000-07-14 | | Release date: | 2000-12-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Zinc plays a key role in human and bacterial GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1Q3J
 | | Solution structure of ALO3: a new knottin-type antifungal peptide from the insect Acrocinus longimanus | | Descriptor: | ALO3 | | Authors: | Barbault, F, Landon, C, Guenneugues, M, Meyer, J.P, Schott, V, Dimarrcq, J.L, Vovelle, F. | | Deposit date: | 2003-07-30 | | Release date: | 2003-12-23 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Alo-3: a new knottin-type antifungal peptide from the insect Acrocinus longimanus.
Biochemistry, 42, 2003
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1IHC
 | | X-ray Structure of Gephyrin N-terminal Domain | | Descriptor: | Gephyrin | | Authors: | Sola, M, Kneussel, M, Heck, I.S, Betz, H, Weissenhorn, W. | | Deposit date: | 2001-04-21 | | Release date: | 2001-05-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray crystal structure of the trimeric N-terminal domain of gephyrin.
J.Biol.Chem., 276, 2001
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1G9E
 | | SOLUTION STRUCTURE AND RELAXATION MEASUREMENTS OF AN ANTIGEN-FREE HEAVY CHAIN VARIABLE DOMAIN (VHH) FROM LLAMA | | Descriptor: | H14 | | Authors: | Renisio, J.-G, Perez, J, Czisch, M, Guenneugues, M, Bornet, O, Frenken, L, Cambillau, C, Darbon, H. | | Deposit date: | 2000-11-23 | | Release date: | 2002-10-23 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Solution structure and backbone dynamics of an antigen-free heavy chain variable
domain (VHH) from Llama
Proteins, 47, 2002
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8CIY
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Cyclohexyl-Griselimycin. | | Descriptor: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | Deposit date: | 2023-02-11 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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8CIZ
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Mycoplanecin A. | | Descriptor: | Beta sliding clamp, Mycoplanecin A | | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | Deposit date: | 2023-02-11 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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8CIX
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Griselimycin. | | Descriptor: | ACETATE ION, Beta sliding clamp, CALCIUM ION, ... | | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | Deposit date: | 2023-02-11 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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3FEM
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6QX2
 | | 3.4A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA | | Descriptor: | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | | Authors: | Bax, B.D. | | Deposit date: | 2019-03-06 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure-guided design of antibacterials that allosterically inhibit DNA gyrase.
Bioorg.Med.Chem.Lett., 29, 2019
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6QX1
 | | 2.7A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA. | | Descriptor: | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Bax, B.D. | | Deposit date: | 2019-03-06 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-guided design of antibacterials that allosterically inhibit DNA gyrase.
Bioorg.Med.Chem.Lett., 29, 2019
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7AEL
 | | alpha 1-antitrypsin (C232S) complexed with GSK716 | | Descriptor: | Alpha-1-antitrypsin, SULFATE ION, ~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2020-09-17 | | Release date: | 2021-03-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Development of a small molecule that corrects misfolding and increases secretion of Z alpha 1 -antitrypsin.
Embo Mol Med, 13, 2021
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