7A6O
 
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7B01
 | | ADAMTS13-CUB12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein,Maltodextrin-binding protein,Maltodextrin-binding protein,ADAMTS13 CUB12,A disintegrin and metalloproteinase with thrombospondin motifs 13,A disintegrin and metalloproteinase with thrombospondin motifs 13,A disintegrin and metalloproteinase with thrombospondin motifs 13, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Kim, H.J, Emsley, J. | | Deposit date: | 2020-11-18 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of ADAMTS13 CUB domains reveals their role in global latency.
Sci Adv, 7, 2021
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7PRK
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6GHA
 | | USP15 catalytic domain structure | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 15,Ubiquitin carboxyl-terminal hydrolase 15, ZINC ION | | Authors: | Ward, S.J, Gratton, H.E, Caulton, S.G, Emsley, J, Dreveny, I. | | Deposit date: | 2018-05-06 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The structure of the deubiquitinase USP15 reveals a misaligned catalytic triad and an open ubiquitin-binding channel.
J. Biol. Chem., 293, 2018
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6GH9
 | | USP15 catalytic domain in complex with small molecule | | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, DIMETHYL SULFOXIDE, Ubiquitin carboxyl-terminal hydrolase 15, ... | | Authors: | Ward, S.J, Gratton, H.E, Caulton, S.G, Emsley, J, Dreveny, I. | | Deposit date: | 2018-05-06 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The structure of the deubiquitinase USP15 reveals a misaligned catalytic triad and an open ubiquitin-binding channel.
J. Biol. Chem., 293, 2018
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6P4E
 | | Leishmania mexicana CPB in complex with an aza-nitrile inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name), ... | | Authors: | Ribeiro, J.F.R, Li, C, De Vita, D, Emsley, J, Montanari, C.A. | | Deposit date: | 2019-05-27 | | Release date: | 2020-06-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | High Resolution X-Ray Crystal Structures of LmCPB2.8 Co-Crystalized with Dipeptidyl Aza-nitrile Inhibitor and Structure Activity Relationships
To Be Published
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6QF7
 | | Crystal structures of the recombinant beta-Factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, ... | | Authors: | Pathak, M, Mannal, R, Li, C, Bubacarr, G.K, Badraldin, K.H, Belviso, B.D, Camila, R.B, Dreveny, I, Fischer, P.M, Dekker, L.V, Oliva, M.L.V, Emsley, J. | | Deposit date: | 2019-01-09 | | Release date: | 2019-06-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystal structures of the recombinant beta-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics.
Acta Crystallogr D Struct Biol, 75, 2019
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6QIG
 | | Metalloproteinase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kim, H.J, Emsley, J. | | Deposit date: | 2019-01-18 | | Release date: | 2019-09-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure and substrate-induced activation of ADAMTS13.
Nat Commun, 10, 2019
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3BX4
 | | Crystal structure of the snake venom toxin aggretin | | Descriptor: | Aggretin alpha chain, Aggretin beta chain, GLYCEROL, ... | | Authors: | Hooley, E, Papagrigoriou, E, Navdaev, A, Pandey, A, Clemetson, J.M, Clemetson, K.J, Emsley, J. | | Deposit date: | 2008-01-11 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of the platelet activator aggretin reveals a novel (alphabeta)2 dimeric structure.
Biochemistry, 47, 2008
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3DYJ
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3E3E
 | | Human Thioredoxin Double Mutant C35S,C73R | | Descriptor: | HEXAETHYLENE GLYCOL, Thioredoxin | | Authors: | Hall, G, Emsley, J. | | Deposit date: | 2008-08-07 | | Release date: | 2010-03-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure of human thioredoxin exhibits a large conformational change.
Protein Sci., 19, 2010
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2M32
 | | Alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide | | Descriptor: | GLOGEN peptide, Integrin alpha-1, MAGNESIUM ION | | Authors: | Chin, Y, Headey, S, Mohanty, B, McEwan, P, Swarbrick, J, Mulhern, T, Emsley, J, Simpson, J, Scanlon, M. | | Deposit date: | 2013-01-07 | | Release date: | 2013-11-06 | | Last modified: | 2014-02-12 | | Method: | SOLUTION NMR | | Cite: | The Structure of Integrin alpha 1I Domain in Complex with a Collagen-mimetic Peptide.
J.Biol.Chem., 288, 2013
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2OWL
 | | Crystal structure of E. coli RdgC | | Descriptor: | CALCIUM ION, Recombination-associated protein rdgC | | Authors: | Briggs, G.S, McEwan, P.A, Yu, J, Moore, T, Emsley, J, Lloyd, R.G. | | Deposit date: | 2007-02-16 | | Release date: | 2007-03-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ring Structure of the Escherichia coli DNA-binding Protein RdgC Associated with Recombination and Replication Fork Repair.
J.Biol.Chem., 282, 2007
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6SZW
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6GT6
 | | Crystal structure of recombinant coagulation factor beta-XIIa | | Descriptor: | CYSTEINE, Coagulation factor XII, GLYCEROL, ... | | Authors: | Pathak, M, Emsley, J. | | Deposit date: | 2018-06-15 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Crystal structures of the recombinant beta-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics.
Acta Crystallogr D Struct Biol, 75, 2019
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6TPR
 | | PqsR (MvfR) bound to inhibitory compound 40 | | Descriptor: | 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide, Transcriptional regulator MvfR | | Authors: | Richardson, W.K, Emsley, J. | | Deposit date: | 2019-12-14 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Hit Identification of New Potent PqsR Antagonists as Inhibitors of Quorum Sensing in Planktonic and Biofilm GrownPseudomonas aeruginosa.
Front Chem, 8, 2020
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5I25
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1ZW3
 | | Vinculin Head (0-258) in Complex with the Talin Rod residues 1630-1652 | | Descriptor: | Talin 1, Vinculin | | Authors: | Gingras, A.R, Ziegler, W.H, Barsukov, I.L, Roberts, G.C, Critchley, D.R, Emsley, J. | | Deposit date: | 2005-06-03 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Mapping and consensus sequence identification for multiple vinculin binding sites within the talin rod
J.Biol.Chem., 280, 2005
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1ZVZ
 | | Vinculin Head (0-258) in Complex with the Talin Rod Residue 820-844 | | Descriptor: | Talin 1, Vinculin | | Authors: | Gingras, A.R, Ziegler, W.H, Barsukov, I.L, Roberts, G.C, Critchley, D.R, Emsley, J. | | Deposit date: | 2005-06-03 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mapping and consensus sequence identification for multiple vinculin binding sites within the talin rod
J.Biol.Chem., 280, 2005
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1ZW2
 | | Vinculin Head (0-258) in Complex with the Talin Rod residues 2345-2369 | | Descriptor: | Vinculin, talin | | Authors: | Gingras, A.R, Ziegler, W.H, Barsukov, I.L, Roberts, G.C, Critchley, D.R, Emsley, J. | | Deposit date: | 2005-06-03 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mapping and consensus sequence identification for multiple vinculin binding sites within the talin rod
J.Biol.Chem., 280, 2005
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2B0H
 | | Solution structure of VBS3 fragment of talin | | Descriptor: | Talin-1 | | Authors: | Gingras, A.R, Vogel, K.P, Steinhoff, H.J, Ziegler, W.H, Patel, B, Emsley, J, Critchley, D.R, Roberts, G.C, Barsukov, I.L. | | Deposit date: | 2005-09-14 | | Release date: | 2006-01-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural and Dynamic Characterization of a Vinculin Binding Site in the Talin Rod
Biochemistry, 45, 2006
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5DWZ
 | | Structural and functional characterization of PqsBC, a condensing enzyme in the biosynthesis of the Pseudomonas aeruginosa quinolone signal | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-oxoacyl-(Acyl carrier protein) synthase III, 3-oxoacyl-[acyl-carrier-protein] synthase 3, ... | | Authors: | Drees, S.L, Li, C, Prasetya, F, Saleem, M, Dreveny, I, Hennecke, U, Williams, P, Emsley, J, Fetzner, S. | | Deposit date: | 2015-09-23 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | PqsBC, a Condensing Enzyme in the Biosynthesis of the Pseudomonas aeruginosa Quinolone Signal: CRYSTAL STRUCTURE, INHIBITION, AND REACTION MECHANISM.
J.Biol.Chem., 291, 2016
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5EOD
 | | Human Plasma Coagulation FXI with peptide LP2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XI, LP2 | | Authors: | Wong, S.S, Ostergaard, S, Hall, G, Li, C, Williams, P.M, Stennicke, H, Emsley, J. | | Deposit date: | 2015-11-10 | | Release date: | 2016-04-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A novel DFP tripeptide motif interacts with the coagulation factor XI apple 2 domain.
Blood, 127, 2016
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5EOK
 | | Human Plasma Coagulation Factor XI in complex with peptide P39 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XI, ... | | Authors: | Wong, S.S, Ostergaard, S, Hall, G, Li, C, Williams, P.M, Stennicke, H, Emsley, J. | | Deposit date: | 2015-11-10 | | Release date: | 2016-04-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A novel DFP tripeptide motif interacts with the coagulation factor XI apple 2 domain.
Blood, 127, 2016
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5JPZ
 | | Crystal structure of HAT domain of human Squamous Cell Carcinoma Antigen Recognized By T Cells 3, SART3 (TIP110) | | Descriptor: | Squamous cell carcinoma antigen recognized by T-cells 3 | | Authors: | Grazette, A, Harper, S, Emsley, J, Layfield, R, Dreveny, I. | | Deposit date: | 2016-05-04 | | Release date: | 2016-05-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.045 Å) | | Cite: | unpublished
To Be Published
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