4TQP
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![BU of 4tqp by Molmil](/molmil-images/mine/4tqp) | Human transthyretin (TTR) complexed with (R)-3-(9H-fluoren-9-ylideneaminooxy)-2-methyl-N-(methylsulfonyl) propionamide in a dual binding mode | Descriptor: | (2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide, GLYCEROL, Transthyretin | Authors: | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | Deposit date: | 2014-06-11 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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4TQ8
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![BU of 4tq8 by Molmil](/molmil-images/mine/4tq8) | Dual binding mode for 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid binding to Human transthyretin (TTR) | Descriptor: | 1,2-ETHANEDIOL, 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | Authors: | Ciccone, L, Orlandini, E, Nencetti, S, Rossello, A, Stura, E.A. | Deposit date: | 2014-06-10 | Release date: | 2015-06-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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4TQH
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![BU of 4tqh by Molmil](/molmil-images/mine/4tqh) | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)ethanoic acid | Descriptor: | 1,2-ETHANEDIOL, Transthyretin, [(9H-fluoren-9-ylideneamino)oxy]acetic acid | Authors: | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | Deposit date: | 2014-06-11 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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1GND
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![BU of 1gnd by Molmil](/molmil-images/mine/1gnd) | GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, ALPHA-ISOFORM | Descriptor: | GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR | Authors: | Schalk, I, Zeng, K, Wu, S.-K, Stura, E.A, Metteson, J, Huang, M, Tandon, A, Wilson, I.A, Balch, W.E. | Deposit date: | 1996-07-10 | Release date: | 1997-02-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure and mutational analysis of Rab GDP-dissociation inhibitor. Nature, 381, 1996
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1HEZ
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![BU of 1hez by Molmil](/molmil-images/mine/1hez) | Structure of P. magnus protein L bound to a human IgM Fab. | Descriptor: | HEAVY CHAIN OF IG, IMIDAZOLE, KAPPA LIGHT CHAIN OF IG, ... | Authors: | Graille, M, Stura, E.A, Housden, N.G, Bottomley, S.P, Taussig, M.J, Sutton, B.J, Gore, M.G, Charbonnier, J.B. | Deposit date: | 2000-11-27 | Release date: | 2001-08-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Complex between Peptostreptococcus Magnus Protein L and a Human Antibody Reveals Structural Convergence in the Interaction Modes of Fab Binding Modes Structure, 9, 2001
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2H7Z
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![BU of 2h7z by Molmil](/molmil-images/mine/2h7z) | Crystal structure of irditoxin | Descriptor: | Irditoxin subunit A, Irditoxin subunit B | Authors: | Pawlak, J, Kini, R.M, Stura, E.A, Le Du, M.H. | Deposit date: | 2006-06-06 | Release date: | 2006-08-29 | Last modified: | 2011-10-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Irditoxin, a novel covalently linked heterodimeric three-finger toxin with high taxon-specific neurotoxicity. Faseb J., 23, 2009
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3V8C
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![BU of 3v8c by Molmil](/molmil-images/mine/3v8c) | Crystal structure of monoclonal human anti-rhesus D Fc IgG1 t125(yb2/0) double mutant (H310 and H435 in K) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, GLYCEROL, ... | Authors: | Menez, R, Stura, E.A, Bourel, D, Siberil, S, Jorieux, S, De Romeuf, C, Ducancel, F, Fridman, W.H, Teillaud, J.L. | Deposit date: | 2011-12-22 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Effect of zinc on human IgG1 and its Fc gamma R interactions. Immunol.Lett., 143, 2012
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3V7M
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![BU of 3v7m by Molmil](/molmil-images/mine/3v7m) | Crystal structure of monoclonal human anti-Rhesus D Fc IgG1 T125(YB2/0) in the presence of Zn2+ | Descriptor: | GLYCEROL, IMIDAZOLE, Ig gamma-1 chain C region, ... | Authors: | Menez, R, Stura, E.A, Bourel, D, Siberil, S, Jorieux, S, De Romeuf, C, Ducancel, F, Fridman, W.H, Teillaud, J.L. | Deposit date: | 2011-12-21 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Effect of zinc on human IgG1 and its Fc gamma R interactions. Immunol.Lett., 143, 2012
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5L7F
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![BU of 5l7f by Molmil](/molmil-images/mine/5l7f) | Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21. | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | Authors: | Tepshi, L, Bordenave, T, Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | Deposit date: | 2016-06-03 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes. Bioconjug.Chem., 27, 2016
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5L79
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![BU of 5l79 by Molmil](/molmil-images/mine/5l79) | Crystal structure of MMP12 in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21212. | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CY5.5-PEG2, ... | Authors: | Tepshi, L, Bordenave, T, Devel, L, Dive, V, Stura, E.A. | Deposit date: | 2016-06-02 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes. Bioconjug.Chem., 27, 2016
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1FGN
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![BU of 1fgn by Molmil](/molmil-images/mine/1fgn) | MONOCLONAL MURINE ANTIBODY 5G9-ANTI-HUMAN TISSUE FACTOR | Descriptor: | IMMUNOGLOBULIN FAB 5G9 | Authors: | Huang, M, Syed, R, Stura, E.A, Stone, M.J, Stefanko, R.S, Ruf, W, Edgington, T.S, Wilson, I.A. | Deposit date: | 1997-04-10 | Release date: | 1998-02-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The mechanism of an inhibitory antibody on TF-initiated blood coagulation revealed by the crystal structures of human tissue factor, Fab 5G9 and TF.5G9 complex. J.Mol.Biol., 275, 1998
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1FIG
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![BU of 1fig by Molmil](/molmil-images/mine/1fig) | ROUTES TO CATALYSIS: STRUCTURE OF A CATALYTIC ANTIBODY AND COMPARISON WITH ITS NATURAL COUNTERPART | Descriptor: | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, IGG1-KAPPA 1F7 FAB (HEAVY CHAIN), IGG1-KAPPA 1F7 FAB (LIGHT CHAIN) | Authors: | Haynes, M.R, Stura, E.A, Hilvert, D, Wilson, I.A. | Deposit date: | 1994-01-07 | Release date: | 1994-05-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Routes to catalysis: structure of a catalytic antibody and comparison with its natural counterpart. Science, 263, 1994
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4DO8
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![BU of 4do8 by Molmil](/molmil-images/mine/4do8) | Crystal structure of the muscarinic toxin MT1 | Descriptor: | ACETATE ION, Muscarinic toxin 1, THIOCYANATE ION | Authors: | Fruchart-Gaillard, C, Mournier, G, Vera, L, Servent, D, Stura, E.A. | Deposit date: | 2012-02-09 | Release date: | 2012-06-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Engineering of three-finger fold toxins creates ligands with original pharmacological profiles for muscarinic and adrenergic receptors. Plos One, 7, 2012
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1GZE
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![BU of 1gze by Molmil](/molmil-images/mine/1gze) | Structure of the Clostridium botulinum C3 exoenzyme (L177C mutant) | Descriptor: | MERCURY (II) ION, MONO-ADP-RIBOSYLTRANSFERASE C3 | Authors: | Menetrey, J, Flatau, G, Stura, E.A, Charbonnier, J.B, Gas, F, Teulon, J.M, Le Du, M.H, Boquet, P, Menez, A. | Deposit date: | 2002-05-21 | Release date: | 2002-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Nad Binding Induces Conformational Changes in Rho Adp-Ribosylating Clostridium Botulinum C3 Exoenzyme J.Biol.Chem., 277, 2002
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1GZF
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![BU of 1gzf by Molmil](/molmil-images/mine/1gzf) | Structure of the Clostridium botulinum C3 exoenzyme (wild-type) in complex with NAD | Descriptor: | 3-(AMINOCARBONYL)-1-[(3R,4S,5R)-3,4-DIHYDROXY-5-METHYLTETRAHYDRO-2-FURANYL]PYRIDINIUM, ADENOSINE-5'-DIPHOSPHATE, MONO-ADP-RIBOSYLTRANSFERASE C3, ... | Authors: | Menetrey, J, Flatau, G, Stura, E.A, Charbonnier, J.B, Gas, F, Teulon, J.M, Le Du, M.H, Boquet, P, Menez, A. | Deposit date: | 2002-05-21 | Release date: | 2002-08-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Nad Binding Induces Conformational Changes in Rho Adp-Ribosylating Clostridium Botulinum C3 Exoenzyme J.Biol.Chem., 277, 2002
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1TFH
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![BU of 1tfh by Molmil](/molmil-images/mine/1tfh) | EXTRACELLULAR DOMAIN OF HUMAN TISSUE FACTOR | Descriptor: | HUMAN TISSUE FACTOR | Authors: | Huang, M, Syed, R, Stura, E.A, Stone, M.J, Stefanko, R.S, Ruf, W, Edgington, T.S, Wilson, I.A. | Deposit date: | 1997-04-10 | Release date: | 1998-02-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The mechanism of an inhibitory antibody on TF-initiated blood coagulation revealed by the crystal structures of human tissue factor, Fab 5G9 and TF.G9 complex. J.Mol.Biol., 275, 1998
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2J6E
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![BU of 2j6e by Molmil](/molmil-images/mine/2j6e) | Crystal Structure of an Autoimmune Complex between a Human IgM Rheumatoid Factor and IgG1 Fc reveals a Novel Fc Epitope and Evidence for Affinity Maturation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CACODYLATE ION, ... | Authors: | Duquerroy, S, Stura, E.A, Bressanelli, S, Browne, H, Beale, D, Hamon, M, Casali, P, Vaney, M.C, Rey, F.A, Sutton, B.J, Taussig, M.J. | Deposit date: | 2006-09-28 | Release date: | 2007-04-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of a human autoimmune complex between IgM rheumatoid factor RF61 and IgG1 Fc reveals a novel epitope and evidence for affinity maturation. J.Mol.Biol., 368, 2007
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2GLQ
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![BU of 2glq by Molmil](/molmil-images/mine/2glq) | X-ray structure of human alkaline phosphatase in complex with strontium | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alkaline phosphatase, placental type, ... | Authors: | Llinas, P, Masella, M, Stigbrand, T, Menez, A, Stura, E.A, Le Du, M.H. | Deposit date: | 2006-04-05 | Release date: | 2006-04-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural studies of human alkaline phosphatase in complex with strontium: Implication for its secondary effect in bones. Protein Sci., 15, 2006
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1MHH
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![BU of 1mhh by Molmil](/molmil-images/mine/1mhh) | |
6ENM
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![BU of 6enm by Molmil](/molmil-images/mine/6enm) | Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168. | Descriptor: | 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Vera, L, Nuti, E, Rossello, A, Stura, E.A. | Deposit date: | 2017-10-05 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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6EOX
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![BU of 6eox by Molmil](/molmil-images/mine/6eox) | Crystal structure of MMP12 in complex with carboxylic inhibitor LP165. | Descriptor: | 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Vera, L, Nuti, E, Rossello, A, Stura, E.A. | Deposit date: | 2017-10-10 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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6ELA
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![BU of 6ela by Molmil](/molmil-images/mine/6ela) | Crystal structure of MMP12 in complex with inhibitor BE4. | Descriptor: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ... | Authors: | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | Deposit date: | 2017-09-28 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.485 Å) | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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6F2A
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![BU of 6f2a by Molmil](/molmil-images/mine/6f2a) | Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/Lysine | Descriptor: | ACETIC ACID, CHLORIDE ION, FE (II) ION, ... | Authors: | Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K. | Deposit date: | 2017-11-24 | Release date: | 2018-11-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep, 8, 2018
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6F2B
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![BU of 6f2b by Molmil](/molmil-images/mine/6f2b) | Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, L-lysine 3-hydroxylase | Authors: | Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K. | Deposit date: | 2017-11-24 | Release date: | 2018-11-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep, 8, 2018
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6ESM
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![BU of 6esm by Molmil](/molmil-images/mine/6esm) | Crystal structure of MMP9 in complex with inhibitor BE4. | Descriptor: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ... | Authors: | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | Deposit date: | 2017-10-23 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.104 Å) | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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