4COD
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![BU of 4cod by Molmil](/molmil-images/mine/4cod) | Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Encinas, L, OKeefe, H, Neu, M, Convery, M.A, McDowell, W, Mendoza-Losana, A, Pages, L.B, Castro-Pichel, J, Evindar, G. | Deposit date: | 2014-01-28 | Release date: | 2014-02-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Encoded Library Technology as a Source of Hits for the Discovery and Lead Optimization of a Potent and Selective Class of Bactericidal Direct Inhibitors of Mycobacterium Tuberculosis Inha. J.Med.Chem., 57, 2014
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1DXM
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![BU of 1dxm by Molmil](/molmil-images/mine/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: | 2023-12-06 | 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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1P0A
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![BU of 1p0a by Molmil](/molmil-images/mine/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
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![BU of 1ozz by Molmil](/molmil-images/mine/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: | 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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1P00
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![BU of 1p00 by Molmil](/molmil-images/mine/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
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![BU of 1fbx by Molmil](/molmil-images/mine/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
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![BU of 1fb1 by Molmil](/molmil-images/mine/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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1DXL
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![BU of 1dxl by Molmil](/molmil-images/mine/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: | 2023-12-06 | 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
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![BU of 1cmr by Molmil](/molmil-images/mine/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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1D1N
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![BU of 1d1n by Molmil](/molmil-images/mine/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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1BAH
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![BU of 1bah by Molmil](/molmil-images/mine/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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1Q3J
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![BU of 1q3j by Molmil](/molmil-images/mine/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: | 2011-07-13 | 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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1HPC
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![BU of 1hpc by Molmil](/molmil-images/mine/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: | 2024-06-05 | 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
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![BU of 1bf0 by Molmil](/molmil-images/mine/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: | 2021-10-27 | 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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1IHC
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![BU of 1ihc by Molmil](/molmil-images/mine/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
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![BU of 1g9e by Molmil](/molmil-images/mine/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: | 2022-02-23 | 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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1KCP
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![BU of 1kcp by Molmil](/molmil-images/mine/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
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![BU of 1kjt by Molmil](/molmil-images/mine/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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8CIZ
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![BU of 8ciz by Molmil](/molmil-images/mine/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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8CIY
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![BU of 8ciy by Molmil](/molmil-images/mine/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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8CIX
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![BU of 8cix by Molmil](/molmil-images/mine/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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![BU of 3fem by Molmil](/molmil-images/mine/3fem) | |
7NPL
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![BU of 7npl by Molmil](/molmil-images/mine/7npl) | ALPHA-1 ANTITRYPSIN (C232S) COMPLEXED WITH cmpd 11 | Descriptor: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide | Authors: | Chung, C. | Deposit date: | 2021-02-27 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding. Bioorg.Med.Chem.Lett., 41, 2021
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7NPK
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![BU of 7npk by Molmil](/molmil-images/mine/7npk) | ALPHA-1 ANTITRYPSIN C232S COMPLEXED WITH CMPD3 | Descriptor: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide | Authors: | Chung, C. | Deposit date: | 2021-02-27 | Release date: | 2021-04-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding. Bioorg.Med.Chem.Lett., 41, 2021
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6Y2I
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![BU of 6y2i by Molmil](/molmil-images/mine/6y2i) | |