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PDB: 71 件
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
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Emsley, J, Saleem, M.
登録日2017-09-24
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the leukocyte integrin Mac-1 I-domain interactions with the platelet glycoprotein Ib.
Blood Adv, 3, 2019
7O2U
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PqsR (MvfR) in complex with antagonist 40
分子名称: 2-[4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile, LysR family transcriptional regulator
著者Emsley, J, Richardson, W.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献PqsR (MvfR) in complex with antagonist 40
To Be Published
7O2T
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PqsR (MvfR) in complex with antagonist 61
分子名称: 2-[4-[(2S)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile, LysR family transcriptional regulator
著者Emsley, J, Richardson, W.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献PqsR (MvfR) in complex with antagonist 61
To Be Published
1GWB
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BU of 1gwb by Molmil
STRUCTURE OF GLYCOPROTEIN 1B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ...
著者Emsley, J, Uff, S, Clemetson, K.J.M, Clemetson, J.M, Harrison, T.
登録日2002-03-14
公開日2003-02-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Platelet Glycoprotein Ib-Alpha N-Terminal Domain Reveals an Unmasking Mechanism of Receptor Activation
J.Biol.Chem., 277, 2002
1AOX
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I DOMAIN FROM INTEGRIN ALPHA2-BETA1
分子名称: INTEGRIN ALPHA 2 BETA, MAGNESIUM ION
著者Emsley, J, King, S.L, Bergelson, J.M, Liddington, R.C.
登録日1997-07-13
公開日1998-11-25
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the I domain from integrin alpha2beta1.
J.Biol.Chem., 272, 1997
1Q7D
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BU of 1q7d by Molmil
Structure of the integrin alpha2beta1 binding collagen peptide
分子名称: collagen alfa 1(I) chain peptide GPOGPOGFOGERGPOGPOGPO
著者Emsley, J, Knight, C.G, Farndale, R.W, Barnes, M.J.
登録日2003-08-18
公開日2004-01-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Integrin alpha2beta1-binding Collagen Peptide.
J.Mol.Biol., 335, 2004
1AUQ
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A1 DOMAIN OF VON WILLEBRAND FACTOR
分子名称: A1 DOMAIN OF VON WILLEBRAND FACTOR, CADMIUM ION
著者Emsley, J, Cruz, M, Handin, R, Liddington, R.
登録日1997-09-01
公開日1998-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the von Willebrand Factor A1 domain and implications for the binding of platelet glycoprotein Ib.
J.Biol.Chem., 273, 1998
1DZI
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BU of 1dzi by Molmil
integrin alpha2 I domain / collagen complex
分子名称: COBALT (II) ION, COLLAGEN, INTEGRIN
著者Emsley, j, Knight, G, Farndale, R, Barnes, M, Liddington, R.
登録日2000-03-01
公開日2001-03-01
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of Collagen Recognition by Integrin Alpha2Beta1
Cell(Cambridge,Mass.), 101, 2000
1T01
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BU of 1t01 by Molmil
Vinculin complexed with the VBS1 helix from talin
分子名称: Talin 1, unnamed protein product
著者Papagrigoriou, E, Gingras, A.R, Barsukov, I.L, Critchley, D.R, Emsley, J.
登録日2004-04-07
公開日2004-08-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.06 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
6QF7
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BU of 6qf7 by Molmil
Crystal structures of the recombinant beta-Factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, ...
著者Pathak, M, Mannal, R, Li, C, Bubacarr, G.K, Badraldin, K.H, Belviso, B.D, Camila, R.B, Dreveny, I, Fischer, P.M, Dekker, L.V, Oliva, M.L.V, Emsley, J.
登録日2019-01-09
公開日2019-06-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (4 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
3E3E
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Human Thioredoxin Double Mutant C35S,C73R
分子名称: HEXAETHYLENE GLYCOL, Thioredoxin
著者Hall, G, Emsley, J.
登録日2008-08-07
公開日2010-03-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure of human thioredoxin exhibits a large conformational change.
Protein Sci., 19, 2010
2I1U
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Mycobacterium tuberculosis thioredoxin C
分子名称: Thioredoxin
著者Hall, G, McEwan, P.A, Emsley, J.
登録日2006-08-15
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of Mycobacterium tuberculosisthioredoxin C.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
6QIG
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BU of 6qig by Molmil
Metalloproteinase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kim, H.J, Emsley, J.
登録日2019-01-18
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure and substrate-induced activation of ADAMTS13.
Nat Commun, 10, 2019
3T9L
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BU of 3t9l by Molmil
Structure of N-terminal DUSP-UBL domains of human USP15
分子名称: SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 15
著者Harper, S, Besong, T.M.D, Emsley, J, Scott, D.J, Dreveny, I.
登録日2011-08-03
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the USP15 N-Terminal Domains: A beta-Hairpin Mediates Close Association between the DUSP and UBL Domains
Biochemistry, 50, 2011
2X0C
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BU of 2x0c by Molmil
Crystal Structure of the R7R8 domains of Talin
分子名称: TALIN-1
著者Gingras, A.R, Goult, B.T, Bate, N, Barsukov, I.L, Emsley, J, Critchely, D.R.
登録日2009-12-08
公開日2010-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Central Region of Talin Has a Unique Fold that Binds Vinculin and Actin.
J.Biol.Chem., 285, 2010
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
分子名称: CADMIUM ION, CHLORIDE ION, Thioredoxin
著者Hall, G, Emsley, J.
登録日2009-10-22
公開日2010-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The 1.7 A resolution crystal structure of a cadmium chloride complex with the active site of a mutant human thioredoxin
To be Published
4XE4
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BU of 4xe4 by Molmil
Coagulation Factor XII protease domain crystal structure
分子名称: 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
著者Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J.
登録日2014-12-22
公開日2015-02-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: CITRATE ANION, Coagulation factor XII, ISOPROPYL ALCOHOL
著者Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J.
登録日2014-12-19
公開日2015-02-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Coagulation factor XII protease domain crystal structure.
J.Thromb.Haemost., 13, 2015
2QP2
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Structure of a MACPF/perforin-like protein
分子名称: CALCIUM ION, Unknown protein
著者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.
登録日2007-07-22
公開日2007-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A common fold mediates vertebrate defense and bacterial attack
Science, 317, 2007
2OWL
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BU of 2owl by Molmil
Crystal structure of E. coli RdgC
分子名称: CALCIUM ION, Recombination-associated protein rdgC
著者Briggs, G.S, McEwan, P.A, Yu, J, Moore, T, Emsley, J, Lloyd, R.G.
登録日2007-02-16
公開日2007-03-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ring Structure of the Escherichia coli DNA-binding Protein RdgC Associated with Recombination and Replication Fork Repair.
J.Biol.Chem., 282, 2007
8Q5K
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BU of 8q5k by Molmil
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
分子名称: 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
著者Markham-Lee, Z.J, Emsley, J.
登録日2023-08-09
公開日2024-01-17
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称: 2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile, Transcriptional regulator MvfR
著者Markham-Lee, Z.J, Emsley, J.
登録日2023-08-09
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
3BX4
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Crystal structure of the snake venom toxin aggretin
分子名称: Aggretin alpha chain, Aggretin beta chain, GLYCEROL, ...
著者Hooley, E, Papagrigoriou, E, Navdaev, A, Pandey, A, Clemetson, J.M, Clemetson, K.J, Emsley, J.
登録日2008-01-11
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of the platelet activator aggretin reveals a novel (alphabeta)2 dimeric structure.
Biochemistry, 47, 2008
6P4E
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Leishmania mexicana CPB in complex with an aza-nitrile inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name), ...
著者Ribeiro, J.F.R, Li, C, De Vita, D, Emsley, J, Montanari, C.A.
登録日2019-05-27
公開日2020-06-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献High Resolution X-Ray Crystal Structures of LmCPB2.8 Co-Crystalized with Dipeptidyl Aza-nitrile Inhibitor and Structure Activity Relationships
To Be Published
6I44
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Allosteric activation of human prekallikrein by apple domain disc rotation
分子名称: (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, ...
著者Li, C, Pathak, M, MaCrae, K, Dreveny, I, Emsley, J.
登録日2018-11-09
公開日2019-03-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J.Thromb.Haemost., 17, 2019

 

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