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PDB: 71 results

1Q7D
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Structure of the integrin alpha2beta1 binding collagen peptide
Descriptor: collagen alfa 1(I) chain peptide GPOGPOGFOGERGPOGPOGPO
Authors:Emsley, J, Knight, C.G, Farndale, R.W, Barnes, M.J.
Deposit date:2003-08-18
Release date:2004-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Integrin alpha2beta1-binding Collagen Peptide.
J.Mol.Biol., 335, 2004
1AOX
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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
7O2U
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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
7O2T
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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
1AUQ
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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
6EJX
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The metal ion-dependent adhesion site (MIDAS) of the alphaMbeta2 integrin Mac-1 I-domain promiscuously and competitively binds multiple ligands in the regulation of Leukocyte function
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Emsley, J, Saleem, M.
Deposit date:2017-09-24
Release date:2018-10-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of the leukocyte integrin Mac-1 I-domain interactions with the platelet glycoprotein Ib.
Blood Adv, 3, 2019
1GWB
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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
1DZI
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BU of 1dzi by Molmil
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
3T9L
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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
3KD0
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BU of 3kd0 by Molmil
Human thioredoxin C35S,C62S,C69S,C73S mutant showing cadmium chloride bound to the active site
Descriptor: CADMIUM ION, CHLORIDE ION, Thioredoxin
Authors:Hall, G, Emsley, J.
Deposit date:2009-10-22
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7 A resolution crystal structure of a cadmium chloride complex with the active site of a mutant human thioredoxin
To be Published
6I44
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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
6I58
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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
4XE4
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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
4XDE
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BU of 4xde by Molmil
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
8Q5K
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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
8Q5L
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PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand 2f: 2-(4-(3-((6-chloro-1-isopropyl-1H-benzo[d]imidazol-2-yl)amino)-2-hydroxypropoxy)phenyl)acetonitrile
Descriptor: 2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile, Transcriptional regulator MvfR
Authors:Markham-Lee, Z.J, Emsley, J.
Deposit date:2023-08-09
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 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
7QOX
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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
7QOT
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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
2I1U
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Mycobacterium tuberculosis thioredoxin C
Descriptor: Thioredoxin
Authors:Hall, G, McEwan, P.A, Emsley, J.
Deposit date:2006-08-15
Release date:2006-12-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of Mycobacterium tuberculosisthioredoxin C.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2QP2
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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
7B01
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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
8OS5
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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
1XWJ
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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
2X0C
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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
1ZW3
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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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