1DUT
 
 | | FIV DUTP PYROPHOSPHATASE | | Descriptor: | DUTP PYROPHOSPHATASE, MAGNESIUM ION | | Authors: | Prasad, G.S, Stura, E.A, Mcree, D.E, Laco, G.S, Hasselkus-Light, C, Elder, J.H, Stout, C.D. | | Deposit date: | 1996-09-15 | | Release date: | 1997-01-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of dUTP pyrophosphatase from feline immunodeficiency virus.
Protein Sci., 5, 1996
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1AHW
 | | A COMPLEX OF EXTRACELLULAR DOMAIN OF TISSUE FACTOR WITH AN INHIBITORY FAB (5G9) | | Descriptor: | IMMUNOGLOBULIN FAB 5G9 (HEAVY CHAIN), IMMUNOGLOBULIN FAB 5G9 (LIGHT CHAIN), 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: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (3 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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1BQ7
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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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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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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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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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5N5Q
 | | Human TTR altered conformation from soaking in iron chloride. | | Descriptor: | ACETATE ION, FE (III) ION, Transthyretin, ... | | Authors: | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | | Deposit date: | 2017-02-14 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Copper mediated amyloid-beta binding to Transthyretin.
Sci Rep, 8, 2018
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5N7C
 | | Human TTR altered conformation from soaking in CuCl2. | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COPPER (II) ION, ... | | Authors: | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | | Deposit date: | 2017-02-20 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Copper mediated amyloid-beta binding to Transthyretin.
Sci Rep, 8, 2018
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5N62
 | | Human TTR crystals soaked in manganese chloride. | | Descriptor: | MANGANESE (II) ION, Transthyretin | | Authors: | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | | Deposit date: | 2017-02-14 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Copper mediated amyloid-beta binding to Transthyretin.
Sci Rep, 8, 2018
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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
 | | 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: | 2024-10-16 | | 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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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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7ANQ
 | | Complete PCSK9 C-ter domain in complex with VHH P1.40 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Proprotein convertase subtilisin/kexin type 9, SULFATE ION, ... | | Authors: | Ciccone, L, Legrand, P, Stura, E.A, Dive, V, Seidahn, N.G, Fruchart Gaillard, C. | | Deposit date: | 2020-10-12 | | Release date: | 2021-10-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular interactions of PCSK9 with an inhibitory nanobody, CAP1 and HLA-C: Functional regulation of LDLR levels.
Mol Metab, 67, 2022
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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
 | | 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
 | | 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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5D2B
 | | Crystal structure of a mutated catalytic domain of Human MMP12 in complex with an hydroxamate analogue of RXP470 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | | Authors: | Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2015-08-05 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.
J. Med. Chem., 60, 2017
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5CXA
 | | Crystal structure of the catalytic domain of Human MMP12 in complex with a carboxylate inhibitor related to RXP470 | | Descriptor: | (R)-4-(((S)-1-(((S)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2015-07-28 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.
J. Med. Chem., 60, 2017
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5CZM
 | | Crystal structure of a mutated catalytic domain of Human MMP12 in complex with RXP470 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | | Authors: | Rouanet-Mehouas, C, Roselia, L, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2015-07-31 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.303 Å) | | Cite: | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.
J. Med. Chem., 60, 2017
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5CUH
 | | Crystal structure MMP-9 complexes with a constrained hydroxamate based inhibitor LT4 | | Descriptor: | (4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Tepshi, L, Vera, L, Nuti, E, Rosalia, L, Rossello, A, Stura, E.A. | | Deposit date: | 2015-07-24 | | Release date: | 2016-02-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of a new selective inhibitor of A Disintegrin And Metalloprotease 10 (ADAM-10) able to reduce the shedding of NKG2D ligands in Hodgkin's lymphoma cell models.
Eur.J.Med.Chem., 111, 2016
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5D3C
 | | Crystal structure of a double mutant catalytic domain of Human MMP12 in complex with an hydroxamate analogue of RXP470 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | | Authors: | Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | | Deposit date: | 2015-08-06 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.314 Å) | | Cite: | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity.
J. Med. Chem., 60, 2017
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5E4A
 | | Human transthyretin (TTR) complexed with (2,7-Dichloro-fluoren-9-ylideneaminooxy)-acetic acid. | | Descriptor: | Transthyretin, {[(2,7-dichloro-9H-fluoren-9-ylidene)amino]oxy}acetic acid | | Authors: | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | | Deposit date: | 2015-10-05 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR).
J Enzyme Inhib Med Chem, 31, 2016
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7FD1
 | | 7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII AT PH 8.5, 100 K, 1.35 A | | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (7-FE FERREDOXIN I) | | Authors: | Stout, C.D, Stura, E.A, Mcree, D.E. | | Deposit date: | 1998-12-11 | | Release date: | 1998-12-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Oxidized and reduced Azotobacter vinelandii ferredoxin I at 1.4 A resolution: conformational change of surface residues without significant change in the [3Fe-4S]+/0 cluster.
Biochemistry, 38, 1999
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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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