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PDB: 71 results

8Q5L
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BU of 8q5l by Molmil
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
4XE4
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BU of 4xe4 by Molmil
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:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Coagulation factor XII protease domain crystal structure.
J.Thromb.Haemost., 13, 2015
4MEM
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BU of 4mem by Molmil
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
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:2024-01-10
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Coagulation factor XII protease domain crystal structure.
J.Thromb.Haemost., 13, 2015
2OWL
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BU of 2owl by Molmil
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
4MEL
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BU of 4mel by Molmil
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
2QP2
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BU of 2qp2 by Molmil
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
6TPR
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BU of 6tpr by Molmil
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
2M32
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BU of 2m32 by Molmil
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
6I44
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BU of 6i44 by Molmil
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
6I58
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BU of 6i58 by Molmil
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:2024-01-24
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
1SJ7
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BU of 1sj7 by Molmil
Crystal Structure of Talin Rod 482-655
Descriptor: PLATINUM (II) ION, Talin 1
Authors:Papagrigoriou, E, Gingras, A.R, Barsukov, I.L, Critchley, D.R, Emsley, J.
Deposit date:2004-03-03
Release date:2004-08-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Activation of a vinculin-binding site in the talin rod involves rearrangement of a five-helix bundle
EMBO J., 23, 2004
1T01
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BU of 1t01 by Molmil
Vinculin complexed with the VBS1 helix from talin
Descriptor: Talin 1, unnamed protein product
Authors:Papagrigoriou, E, Gingras, A.R, Barsukov, I.L, Critchley, D.R, Emsley, J.
Deposit date:2004-04-07
Release date:2004-08-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Activation of a vinculin-binding site in the talin rod involves rearrangement of a five-helix bundle
Embo J., 23, 2004
5JPZ
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BU of 5jpz by Molmil
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
4JVD
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BU of 4jvd by Molmil
Crystal structure of PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand NHQ
Descriptor: 2-nonylquinolin-4(1H)-one, Transcriptional regulator MvfR
Authors:Ilangovan, A, Emsley, J, Williams, P.
Deposit date:2013-03-25
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for native agonist and synthetic inhibitor recognition by the Pseudomonas aeruginosa quorum sensing regulator PqsR (MvfR).
Plos Pathog., 9, 2013
4JVI
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BU of 4jvi by Molmil
Crystal structure of PqsR co-inducer binding domain of Pseudomonas aeruginosa with inhibitor 3NH2-7Cl-C9QZN
Descriptor: 3-amino-7-chloro-2-nonylquinazolin-4(3H)-one, Transcriptional regulator MvfR
Authors:Ilangovan, A, Williams, P, Emsley, J.
Deposit date:2013-03-25
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for native agonist and synthetic inhibitor recognition by the Pseudomonas aeruginosa quorum sensing regulator PqsR (MvfR).
Plos Pathog., 9, 2013
4JVC
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BU of 4jvc by Molmil
Crystal structure of PqsR co-inducer binding domain
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Transcriptional regulator MvfR
Authors:Ilangovan, A, Emsley, J, Williams, P.
Deposit date:2013-03-25
Release date:2013-08-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for native agonist and synthetic inhibitor recognition by the Pseudomonas aeruginosa quorum sensing regulator PqsR (MvfR).
Plos Pathog., 9, 2013
8OYP
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BU of 8oyp by Molmil
Crystal structure of Ubiquitin specific protease 11 (USP11) in complex with a substrate mimetic
Descriptor: CADMIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Maurer, S.K, Caulton, S.G, Ward, S.J, Emsley, J, Dreveny, I.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Ubiquitin-specific protease 11 structure in complex with an engineered substrate mimetic reveals a molecular feature for deubiquitination selectivity.
J.Biol.Chem., 299, 2023
6GH9
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BU of 6gh9 by Molmil
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
3T9L
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BU of 3t9l by Molmil
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
2I1U
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BU of 2i1u by Molmil
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:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of Mycobacterium tuberculosisthioredoxin C.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
6GHA
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BU of 6gha by Molmil
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
3REZ
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BU of 3rez by Molmil
glycoprotein GPIb variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Platelet glycoprotein Ib beta chain, ...
Authors:McEwan, P.A, Yang, W, Carr, K.H, Mo, X, Zheng, X, Li, R, Emsley, J.
Deposit date:2011-04-05
Release date:2012-02-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Quaternary organization of GPIb-IX complex and insights into Bernard-Soulier syndrome revealed by the structures of GPIb beta and a GPIb beta/GPIX chimera
Blood, 118, 2011
3RFE
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BU of 3rfe by Molmil
Crystal structure of glycoprotein GPIb ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Platelet glycoprotein Ib beta chain, ...
Authors:McEwan, P.A, Yang, W, Carr, K.H, Mo, X, Zheng, X, Li, R, Emsley, J.
Deposit date:2011-04-06
Release date:2011-12-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.245 Å)
Cite:Quaternary organization of GPIb-IX complex and insights into Bernard-Soulier syndrome revealed by the structures of GPIbbeta and a GPIbbeta/GPIX chimer
Blood, 118, 2011
3NOF
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BU of 3nof by Molmil
Mycobacterium tuberculosis thioredoxin C C40S mutant
Descriptor: THIOCYANATE ION, Thioredoxin TrxC
Authors:Hall, G, Emsley, J.
Deposit date:2010-06-25
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464
Protein Sci., 20, 2011

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