1Q7D
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1AOX
| I DOMAIN FROM INTEGRIN ALPHA2-BETA1 | Descriptor: | INTEGRIN ALPHA 2 BETA, MAGNESIUM ION | Authors: | Emsley, J, King, S.L, Bergelson, J.M, Liddington, R.C. | Deposit date: | 1997-07-13 | Release date: | 1998-11-25 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the I domain from integrin alpha2beta1. J.Biol.Chem., 272, 1997
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7O2U
| PqsR (MvfR) in complex with antagonist 40 | Descriptor: | 2-[4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile, LysR family transcriptional regulator | Authors: | Emsley, J, Richardson, W. | Deposit date: | 2021-03-31 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | PqsR (MvfR) in complex with antagonist 40 To Be Published
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7O2T
| PqsR (MvfR) in complex with antagonist 61 | Descriptor: | 2-[4-[(2S)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile, LysR family transcriptional regulator | Authors: | Emsley, J, Richardson, W. | Deposit date: | 2021-03-31 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | PqsR (MvfR) in complex with antagonist 61 To Be Published
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1AUQ
| A1 DOMAIN OF VON WILLEBRAND FACTOR | Descriptor: | A1 DOMAIN OF VON WILLEBRAND FACTOR, CADMIUM ION | Authors: | Emsley, J, Cruz, M, Handin, R, Liddington, R. | Deposit date: | 1997-09-01 | Release date: | 1998-10-14 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the von Willebrand Factor A1 domain and implications for the binding of platelet glycoprotein Ib. J.Biol.Chem., 273, 1998
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6EJX
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1GWB
| STRUCTURE OF GLYCOPROTEIN 1B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ... | Authors: | Emsley, J, Uff, S, Clemetson, K.J.M, Clemetson, J.M, Harrison, T. | Deposit date: | 2002-03-14 | Release date: | 2003-02-06 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Platelet Glycoprotein Ib-Alpha N-Terminal Domain Reveals an Unmasking Mechanism of Receptor Activation J.Biol.Chem., 277, 2002
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1DZI
| integrin alpha2 I domain / collagen complex | Descriptor: | COBALT (II) ION, COLLAGEN, INTEGRIN | Authors: | Emsley, j, Knight, G, Farndale, R, Barnes, M, Liddington, R. | Deposit date: | 2000-03-01 | Release date: | 2001-03-01 | Last modified: | 2017-07-12 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis of Collagen Recognition by Integrin Alpha2Beta1 Cell(Cambridge,Mass.), 101, 2000
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3T9L
| Structure of N-terminal DUSP-UBL domains of human USP15 | Descriptor: | SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 15 | Authors: | Harper, S, Besong, T.M.D, Emsley, J, Scott, D.J, Dreveny, I. | Deposit date: | 2011-08-03 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the USP15 N-Terminal Domains: A beta-Hairpin Mediates Close Association between the DUSP and UBL Domains Biochemistry, 50, 2011
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3KD0
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6I44
| Allosteric activation of human prekallikrein by apple domain disc rotation | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | Authors: | Li, C, Pathak, M, MaCrae, K, Dreveny, I, Emsley, J. | Deposit date: | 2018-11-09 | Release date: | 2019-03-06 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI. J.Thromb.Haemost., 17, 2019
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6I58
| Allosteric activation of human prekallikrein by apple domain disc rotation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Li, C, Pathak, M, McCrae, K, Dreveny, I, Emsley, J. | Deposit date: | 2018-11-13 | Release date: | 2019-03-06 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI. J.Thromb.Haemost., 17, 2019
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4XE4
| Coagulation Factor XII protease domain crystal structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL | Authors: | Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J. | Deposit date: | 2014-12-22 | Release date: | 2015-02-04 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Coagulation factor XII protease domain crystal structure. J.Thromb.Haemost., 13, 2015
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4XDE
| Coagulation Factor XII protease domain crystal structure | Descriptor: | CITRATE ANION, Coagulation factor XII, ISOPROPYL ALCOHOL | Authors: | Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J. | Deposit date: | 2014-12-19 | Release date: | 2015-02-04 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Coagulation factor XII protease domain crystal structure. J.Thromb.Haemost., 13, 2015
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8Q5K
| PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand 2t : 2-(4-(3-((6-chloro-1-(2-methoxyethyl)-1H-benzo[d]imidazol-2-yl)amino)-2-hydroxypropoxy)phenyl)acetonitrile | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{S})-3-[[6-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile, Multiple virulence factor regulator MvfR | Authors: | Markham-Lee, Z.J, Emsley, J. | Deposit date: | 2023-08-09 | Release date: | 2024-01-17 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design, Synthesis, and Evaluation of New 1 H -Benzo[ d ]imidazole Based PqsR Inhibitors as Adjuvant Therapy for Pseudomonas aeruginosa Infections. J.Med.Chem., 67, 2024
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8Q5L
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7QOX
| Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | Authors: | Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J. | Deposit date: | 2021-12-29 | Release date: | 2023-01-18 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI. J Thromb Haemost, 17, 2019
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7QOT
| Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa heavy chain, Kininogen-1 light chain, ... | Authors: | Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J. | Deposit date: | 2021-12-28 | Release date: | 2023-01-18 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI. J Thromb Haemost, 17, 2019
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2I1U
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2QP2
| Structure of a MACPF/perforin-like protein | Descriptor: | CALCIUM ION, Unknown protein | Authors: | Rosado, C.J, Buckle, A.M, Law, R.H.P, Butcher, R.E, Kan, W.T, Bird, C.H, Ung, K, Browne, K.A, Baran, K, Bashtannyk-Puhalovich, T.A, Faux, N.G, Wong, W, Porter, C.J, Pike, R.N, Ellisdon, A.M, Pearce, M.C, Bottomley, S.P, Emsley, J, Smith, A.I, Rossjohn, J, Hartland, E.L, Voskoboinik, I, Trapani, J.A, Bird, P.I, Dunstone, M.A, Whisstock, J.C. | Deposit date: | 2007-07-22 | Release date: | 2007-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A common fold mediates vertebrate defense and bacterial attack Science, 317, 2007
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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: | 2024-11-06 | 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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8OS5
| Crystal structure of the Factor XII heavy chain reveals an interlocking dimer with a FnII to kringle domain interaction | Descriptor: | Coagulation factor XII-Mie | Authors: | Li, C, Saleem, M, Kaira, B.G, Brown, A, Wilson, C, Philippou, H, Emsley, J. | Deposit date: | 2023-04-18 | Release date: | 2024-03-27 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery. Blood, 136, 2020
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1XWJ
| Vinculin head (1-258) in complex with the talin vinculin binding site 3 (1945-1969) | Descriptor: | Talin, Vinculin | Authors: | Gingras, A.R, Papagrigoriou, E, Barsukov, I.L, Critchley, D.R, Emsley, J. | Deposit date: | 2004-11-01 | Release date: | 2005-10-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Dynamic Characterization of a Vinculin Binding Site in the Talin Rod Biochemistry, 45, 2006
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2X0C
| Crystal Structure of the R7R8 domains of Talin | Descriptor: | TALIN-1 | Authors: | Gingras, A.R, Goult, B.T, Bate, N, Barsukov, I.L, Emsley, J, Critchely, D.R. | Deposit date: | 2009-12-08 | Release date: | 2010-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Central Region of Talin Has a Unique Fold that Binds Vinculin and Actin. J.Biol.Chem., 285, 2010
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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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