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1AOX
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BU of 1aox by Molmil
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:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
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
1AUQ
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BU of 1auq by Molmil
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:2024-04-03
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
7O2T
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BU of 7o2t by Molmil
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
7O2U
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BU of 7o2u by Molmil
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
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
1SAC
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BU of 1sac by Molmil
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
6EJX
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BU of 6ejx by Molmil
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:2024-01-17
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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BU of 1gwb by Molmil
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
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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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
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
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
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
6P4E
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BU of 6p4e by Molmil
Leishmania mexicana CPB in complex with an aza-nitrile inhibitor
Descriptor: (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), ...
Authors:Ribeiro, J.F.R, Li, C, De Vita, D, Emsley, J, Montanari, C.A.
Deposit date:2019-05-27
Release date:2020-06-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High Resolution X-Ray Crystal Structures of LmCPB2.8 Co-Crystalized with Dipeptidyl Aza-nitrile Inhibitor and Structure Activity Relationships
To Be Published
7B01
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BU of 7b01 by Molmil
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:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of ADAMTS13 CUB domains reveals their role in global latency.
Sci Adv, 7, 2021
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
2B0H
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BU of 2b0h by Molmil
Solution structure of VBS3 fragment of talin
Descriptor: Talin-1
Authors:Gingras, A.R, Vogel, K.P, Steinhoff, H.J, Ziegler, W.H, Patel, B, Emsley, J, Critchley, D.R, Roberts, G.C, Barsukov, I.L.
Deposit date:2005-09-14
Release date:2006-01-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural and Dynamic Characterization of a Vinculin Binding Site in the Talin Rod
Biochemistry, 45, 2006
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
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
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
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
Descriptor: 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, ...
Authors: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.
Deposit date:2019-01-09
Release date:2019-06-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4 Å)
Cite: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
6QIG
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BU of 6qig by Molmil
Metalloproteinase
Descriptor: 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, ...
Authors:Kim, H.J, Emsley, J.
Deposit date:2019-01-18
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure and substrate-induced activation of ADAMTS13.
Nat Commun, 10, 2019
2X0C
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BU of 2x0c by Molmil
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

 

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