1AOX
| 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
| |
7O2U
| 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
| 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
|
|
6EJX
| |
1AUQ
| 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
|
|
1GWB
| 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
|
|
1DZI
| 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
|
|
3DYJ
| |
7B01
| 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
|
|
1SJ8
| Solution Structure of the R1R2 Domains of Talin | Descriptor: | 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: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Activation of a vinculin-binding site in the talin rod involves rearrangement of a five-helix bundle EMBO J., 23, 2004
|
|
6QF7
| 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
|
|
1SAC
| 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
|
|
6QIG
| 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
|
|
5I25
| |
3E3E
| Human Thioredoxin Double Mutant C35S,C73R | Descriptor: | HEXAETHYLENE GLYCOL, Thioredoxin | Authors: | Hall, G, Emsley, J. | Deposit date: | 2008-08-07 | Release date: | 2010-03-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of human thioredoxin exhibits a large conformational change. Protein Sci., 19, 2010
|
|
2X0C
| 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
|
|
6SZW
| |
3BX4
| Crystal structure of the snake venom toxin aggretin | Descriptor: | Aggretin alpha chain, Aggretin beta chain, GLYCEROL, ... | Authors: | Hooley, E, Papagrigoriou, E, Navdaev, A, Pandey, A, Clemetson, J.M, Clemetson, K.J, Emsley, J. | Deposit date: | 2008-01-11 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of the platelet activator aggretin reveals a novel (alphabeta)2 dimeric structure. Biochemistry, 47, 2008
|
|
6P4E
| 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
|
|
8OS5
| 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
|
|
3KD0
| |
7QOX
| 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: | 2024-10-16 | 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
|
|
7QOT
| 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
|
|
8Q5K
| 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 | Descriptor: | 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 | Authors: | Markham-Lee, Z.J, Emsley, J. | Deposit date: | 2023-08-09 | Release date: | 2024-01-17 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.8 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
|
|