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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
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:2011-09-14
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
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
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
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
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
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
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
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:2023-03-01
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
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
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
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
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
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
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
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
7QOT
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BU of 7qot by Molmil
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:2024-01-31
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
7QOX
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BU of 7qox by Molmil
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:2024-01-31
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
7PRJ
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BU of 7prj by Molmil
Factor XII Fibronectin type II (FXII FnII) domain
Descriptor: Coagulation factor XII, ZINC ION
Authors:Kaira, B.G, Emsley, J.
Deposit date:2021-09-21
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Factor XII Fibronectin type II (FXII FnII) domain
To Be Published
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
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
6GH9
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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

 

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