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6TPR
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BU of 6tpr by Molmil
PqsR (MvfR) bound to inhibitory compound 40
分子名称: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide, Transcriptional regulator MvfR
著者Richardson, W.K, Emsley, J.
登録日2019-12-14
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Hit Identification of New Potent PqsR Antagonists as Inhibitors of Quorum Sensing in Planktonic and Biofilm GrownPseudomonas aeruginosa.
Front Chem, 8, 2020
6GT6
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BU of 6gt6 by Molmil
Crystal structure of recombinant coagulation factor beta-XIIa
分子名称: CYSTEINE, Coagulation factor XII, GLYCEROL, ...
著者Pathak, M, Emsley, J.
登録日2018-06-15
公開日2019-07-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献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
1SJ8
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BU of 1sj8 by Molmil
Solution Structure of the R1R2 Domains of Talin
分子名称: Talin 1
著者Papagrigoriou, E, Gingras, A.R, Barsukov, I.L, Critchley, D.R, Emsley, J.
登録日2004-03-03
公開日2004-08-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Activation of a vinculin-binding site in the talin rod involves rearrangement of a five-helix bundle
EMBO J., 23, 2004
1SJ7
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BU of 1sj7 by Molmil
Crystal Structure of Talin Rod 482-655
分子名称: PLATINUM (II) ION, Talin 1
著者Papagrigoriou, E, Gingras, A.R, Barsukov, I.L, Critchley, D.R, Emsley, J.
登録日2004-03-03
公開日2004-08-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Activation of a vinculin-binding site in the talin rod involves rearrangement of a five-helix bundle
EMBO J., 23, 2004
8OS5
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BU of 8os5 by Molmil
Crystal structure of the Factor XII heavy chain reveals an interlocking dimer with a FnII to kringle domain interaction
分子名称: Coagulation factor XII-Mie
著者Li, C, Saleem, M, Kaira, B.G, Brown, A, Wilson, C, Philippou, H, Emsley, J.
登録日2023-04-18
公開日2024-03-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.
Blood, 136, 2020
3O6T
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BU of 3o6t by Molmil
Mycobacterium tuberculosis thioredoxin C C40S mutant in Complex with Quinol Inhibitor PMX464
分子名称: 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one, TRIETHYLENE GLYCOL, Thioredoxin
著者Hall, G, Emsley, J.
登録日2010-07-29
公開日2010-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464
Protein Sci., 20, 2011
4JVC
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BU of 4jvc by Molmil
Crystal structure of PqsR co-inducer binding domain
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Transcriptional regulator MvfR
著者Ilangovan, A, Emsley, J, Williams, P.
登録日2013-03-25
公開日2013-08-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for native agonist and synthetic inhibitor recognition by the Pseudomonas aeruginosa quorum sensing regulator PqsR (MvfR).
Plos Pathog., 9, 2013
3P72
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BU of 3p72 by Molmil
structure of platelet Glycoprotein 1b alpha with a bound peptide inhibitor
分子名称: CHLORIDE ION, OS1 peptide, Platelet glycoprotein Ib alpha chain
著者McEwan, P.A, Andrews, R.K, Emsley, J.
登録日2010-10-12
公開日2010-11-24
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Glycoprotein Ibalpha inhibitor complex structure reveals a combined steric and allosteric mechanism of von Willebrand factor antagonism.
Blood, 114, 2009
5I25
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BU of 5i25 by Molmil
human recombinant coagulation FXI in complex with a peptide derived from human high molecular weight kininogen (HKP)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASN-PRO-ILE-SER-ASP-PHE-PRO-ASP, Coagulation factor XI
著者Hall, G.A.F, Wong, S.S, Emsley, J.
登録日2016-02-08
公開日2016-04-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A novel DFP tripeptide motif interacts with the coagulation factor XI apple 2 domain.
Blood, 127, 2016
8OYP
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BU of 8oyp by Molmil
Crystal structure of Ubiquitin specific protease 11 (USP11) in complex with a substrate mimetic
分子名称: CADMIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Maurer, S.K, Caulton, S.G, Ward, S.J, Emsley, J, Dreveny, I.
登録日2023-05-05
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Ubiquitin-specific protease 11 structure in complex with an engineered substrate mimetic reveals a molecular feature for deubiquitination selectivity.
J.Biol.Chem., 299, 2023
4MEL
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BU of 4mel by Molmil
Crystal Structure of the human USP11 DUSP-UBL domains
分子名称: Ubiquitin carboxyl-terminal hydrolase 11
著者Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I.
登録日2013-08-27
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
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)
分子名称: Squamous cell carcinoma antigen recognized by T-cells 3
著者Grazette, A, Harper, S, Emsley, J, Layfield, R, Dreveny, I.
登録日2016-05-04
公開日2016-05-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.045 Å)
主引用文献unpublished
To Be Published
4MEM
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BU of 4mem by Molmil
Crystal Structure of the rat USP11 DUSP-UBL domains
分子名称: Ubiquitin carboxyl-terminal hydrolase 11
著者Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I.
登録日2013-08-27
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
3NOF
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BU of 3nof by Molmil
Mycobacterium tuberculosis thioredoxin C C40S mutant
分子名称: THIOCYANATE ION, Thioredoxin TrxC
著者Hall, G, Emsley, J.
登録日2010-06-25
公開日2010-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464
Protein Sci., 20, 2011
4JVD
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BU of 4jvd by Molmil
Crystal structure of PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand NHQ
分子名称: 2-nonylquinolin-4(1H)-one, Transcriptional regulator MvfR
著者Ilangovan, A, Emsley, J, Williams, P.
登録日2013-03-25
公開日2013-08-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献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
分子名称: 3-amino-7-chloro-2-nonylquinazolin-4(3H)-one, Transcriptional regulator MvfR
著者Ilangovan, A, Williams, P, Emsley, J.
登録日2013-03-25
公開日2013-08-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for native agonist and synthetic inhibitor recognition by the Pseudomonas aeruginosa quorum sensing regulator PqsR (MvfR).
Plos Pathog., 9, 2013
3REZ
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BU of 3rez by Molmil
glycoprotein GPIb variant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Platelet glycoprotein Ib beta chain, ...
著者McEwan, P.A, Yang, W, Carr, K.H, Mo, X, Zheng, X, Li, R, Emsley, J.
登録日2011-04-05
公開日2012-02-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Platelet glycoprotein Ib beta chain, ...
著者McEwan, P.A, Yang, W, Carr, K.H, Mo, X, Zheng, X, Li, R, Emsley, J.
登録日2011-04-06
公開日2011-12-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.245 Å)
主引用文献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
3P46
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BU of 3p46 by Molmil
Integrin binding collagen peptide
分子名称: Synthetic collagen peptide
著者McEwan, P.A, Emsley, J.
登録日2010-10-06
公開日2011-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献End-stapled homo and hetero collagen triple helices: a click chemistry approach.
Chem.Commun.(Camb.), 47, 2011
7PRJ
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BU of 7prj by Molmil
Factor XII Fibronectin type II (FXII FnII) domain
分子名称: Coagulation factor XII, ZINC ION
著者Kaira, B.G, Emsley, J.
登録日2021-09-21
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Factor XII Fibronectin type II (FXII FnII) domain
To Be Published
7PRK
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BU of 7prk by Molmil
Factor XII Fibronectin type II (FXII FnII) domain
分子名称: Coagulation factor XII, FORMIC ACID, ZINC ION
著者Kaira, B.G, Emsley, J.
登録日2021-09-21
公開日2022-10-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Factor XII Fibronectin type II (FXII FnII) domain
To Be Published
7NMU
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BU of 7nmu by Molmil
Crystal structure of human platelet glycoprotein VI in complex with an inhibitory nanobody.
分子名称: CALCIUM ION, Nanobody 2, Platelet glycoprotein VI
著者Slater, A, Jonas, E, Watson, S.P.
登録日2021-02-23
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural characterization of a novel GPVI-nanobody complex reveals a biologically active domain-swapped GPVI dimer.
Blood, 137, 2021
1V7P
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BU of 1v7p by Molmil
Structure of EMS16-alpha2-I domain complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EMS16 A chain, ...
著者Horii, K, Okuda, D, Morita, T, Mizuno, H.
登録日2003-12-19
公開日2004-09-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of EMS16 in complex with the integrin alpha2-I domain
J.Mol.Biol., 341, 2004
1LGN
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BU of 1lgn by Molmil
DECAMERIC DAMP COMPLEX OF HUMAN SERUM AMYLOID P COMPONENT
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, CALCIUM ION, SERUM AMYLOID P COMPONENT
著者Hohenester, E, Pepys, M.B, Wood, S.P.
登録日1996-12-04
公開日1997-12-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a decameric complex of human serum amyloid P component with bound dAMP.
J.Mol.Biol., 269, 1997
5OK6
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BU of 5ok6 by Molmil
Ubiquitin specific protease 11 USP11 - peptide F complex
分子名称: 1,2-ETHANEDIOL, ALA-GLU-GLY-GLU-PHE-TYR-LYS-LEU-LYS-ILE-ARG-THR-PRO-AAR, GLYCEROL, ...
著者Spiliotopoulos, A, Dreveny, I.
登録日2017-07-25
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of peptide ligands targeting a specific ubiquitin-like domain-binding site in the deubiquitinase USP11.
J.Biol.Chem., 294, 2019

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