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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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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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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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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1Q7D
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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: | 2020-07-29 | | 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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1SAC
 | | THE STRUCTURE OF PENTAMERIC HUMAN SERUM AMYLOID P COMPONENT | | Descriptor: | ACETIC ACID, CALCIUM ION, SERUM AMYLOID P COMPONENT | | Authors: | White, H.E, Emsley, J, O'Hara, B.P, Oliva, G, Srinivasan, N, Tickle, I.J, Blundell, T.L, Pepys, M.B, Wood, S.P. | | Deposit date: | 1994-01-27 | | Release date: | 1994-05-31 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of pentameric human serum amyloid P component.
Nature, 367, 1994
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6EJX
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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: | 2024-10-09 | | 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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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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1U89
 | | Solution structure of VBS2 fragment of talin | | Descriptor: | Talin 1 | | Authors: | Fillingham, I, Gingras, A.R, Papagrigoriou, E, Patel, B, Emsley, J, Roberts, G.C.K, Critchley, D.R, Barsukov, I.L. | | Deposit date: | 2004-08-05 | | Release date: | 2005-01-18 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | A vinculin binding domain from the talin rod unfolds to form a complex with the vinculin head.
Structure, 13, 2005
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3NOF
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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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4MEL
 | | Crystal Structure of the human USP11 DUSP-UBL domains | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 11 | | Authors: | Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I. | | Deposit date: | 2013-08-27 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.899 Å) | | Cite: | Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
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4MEM
 | | Crystal Structure of the rat USP11 DUSP-UBL domains | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 11 | | Authors: | Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I. | | Deposit date: | 2013-08-27 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
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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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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: | 2024-01-24 | | 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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3KD0
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6YZ3
 | | PqsR (MvfR) in complex with antagonist 19 | | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, LysR family transcriptional regulator | | Authors: | Richardson, W.K, Emsley, J. | | Deposit date: | 2020-05-06 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
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6Z07
 | | PqsR (MvfR) in complex with antagonist 12 | | Descriptor: | 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one, GLYCEROL, Transcriptional regulator MvfR | | Authors: | Richardson, W.K, Emsley, J. | | Deposit date: | 2020-05-07 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
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6Z5K
 | | PqsR (MvfR) in complex with antagonist 18 | | Descriptor: | 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR | | Authors: | Richardson, W.K, Emsley, J. | | Deposit date: | 2020-05-26 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.201 Å) | | Cite: | Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
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2I1U
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