6QA4
 
 | | ERK2 mini-fragment binding | | Descriptor: | 1~{H}-pyridin-2-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QAL
 | | ERK2 mini-fragment binding | | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QAW
 | | ERK2 mini-fragment binding | | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QAQ
 | | ERK2 mini-fragment binding | | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QAH
 | | ERK2 mini-fragment binding | | Descriptor: | 1-azanylpropylideneazanium, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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4OEB
 | | Structure of membrane binding protein pleurotolysin A from Pleurotus ostreatus | | Descriptor: | Pleurotolysin A, SULFATE ION | | Authors: | Dunstone, M.A, Caradoc-Davies, T.T, Whisstock, J.C, Law, R.H.P. | | Deposit date: | 2014-01-12 | | Release date: | 2015-02-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Conformational Changes during Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
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6DN5
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6DN8
 | | SPRY domain-containing SOCS box protein 2 complexed with (GZJ)VDINNN(CY3) Cyclic peptide inhibitor | | Descriptor: | (GZJ)VDINNN(CY3) Cyclic peptide inhibitor, ACETATE ION, SPRY domain-containing SOCS box protein 4, ... | | Authors: | Law, R.H.P, Caradoc-Davies, T.T, Norton, R.S. | | Deposit date: | 2018-06-06 | | Release date: | 2019-04-17 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent.
ACS Chem. Biol., 13, 2018
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6CXO
 | | Complement component-9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement component C9, ... | | Authors: | Law, R.H.P, Spicer, B.A, Caradoc-Davies, T.T. | | Deposit date: | 2018-04-03 | | Release date: | 2018-09-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The first transmembrane region of complement component-9 acts as a brake on its self-assembly.
Nat Commun, 9, 2018
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3NSJ
 | | The X-ray crystal structure of lymphocyte perforin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Law, R.H, Whisstock, J.C, Caradoc-Davies, T.T. | | Deposit date: | 2010-07-01 | | Release date: | 2010-11-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The structural basis for membrane binding and pore formation by lymphocyte perforin.
Nature, 468, 2010
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3JZ4
 | | Crystal structure of E. coli NADP dependent enzyme | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Succinate-semialdehyde dehydrogenase [NADP+] | | Authors: | Langendorf, C.G, Key, T.L.G, Fenalti, G, Kan, W.T, Buckle, A.M, Caradoc-Davies, T, Tuck, K.L, Law, R.H.P, Whisstock, J.C. | | Deposit date: | 2009-09-22 | | Release date: | 2010-03-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The X-ray crystal structure of Escherichia coli succinic semialdehyde dehydrogenase; structural insights into NADP+/enzyme interactions.
Plos One, 5, 2010
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3OVU
 | | Crystal Structure of Human Alpha-Haemoglobin Complexed with AHSP and the First NEAT Domain of IsdH from Staphylococcus aureus | | Descriptor: | Alpha-hemoglobin-stabilizing protein, Hemoglobin subunit alpha, Iron-regulated surface determinant protein H, ... | | Authors: | Jacques, D.A, Krishna Kumar, K, Caradoc-Davies, T.T, Langley, D.B, Mackay, J.P, Guss, J.M, Gell, D.A. | | Deposit date: | 2010-09-17 | | Release date: | 2011-09-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | A new haem pocket structure in alpha-haemoglobin
To be Published
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5ULM
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4OEJ
 | | Structure of membrane binding protein pleurotolysin B from Pleurotus ostreatus | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Dunstone, M.A, Caradoc-Davies, T.T, Whisstock, J.C, Law, R.H.P. | | Deposit date: | 2014-01-13 | | Release date: | 2015-02-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformational Changes during Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
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6OG4
 | | plasminogen binding group A streptococcal M protein | | Descriptor: | Plasminogen, Plasminogen-binding group A streptococcal M-like protein PAM, SULFATE ION | | Authors: | Law, R.H.P, Quek, A.J, Whisstock, J.C, Caradoc-Davies, T.T. | | Deposit date: | 2019-04-01 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and Function Characterization of the a1a2 Motifs of Streptococcus pyogenes M Protein in Human Plasminogen Binding.
J.Mol.Biol., 431, 2019
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6O1Z
 | | Structure of pCW3 conjugation coupling protein TcpA hexagonal crystal form | | Descriptor: | DNA translocase coupling protein | | Authors: | Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C. | | Deposit date: | 2019-02-22 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of pCW3 conjugation coupling protein TcpA
To be published
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6MQV
 | | Structure of HEWL from LCP injector using synchrotron radiation | | Descriptor: | Lysozyme C, SODIUM ION | | Authors: | Caradoc-Davies, T.T, Aishima, J, Berntsen, P, Hadian-Jazi, M. | | Deposit date: | 2018-10-10 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The serial millisecond crystallography instrument at the Australian Synchrotron incorporating the "Lipidico" injector.
Rev Sci Instrum, 90, 2019
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6O1Y
 | | Structure of pCW3 conjugation coupling protein TcpA monomeric form with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA translocase coupling protein, beta-D-glucopyranose | | Authors: | Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C. | | Deposit date: | 2019-02-22 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of pCW3 conjugation coupling protein TcpA
To be published
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6O1W
 | | Structure of pCW3 conjugation coupling protein TcpA monomer orthorhombic crystal form | | Descriptor: | DNA translocase coupling protein, beta-D-glucopyranose | | Authors: | Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C. | | Deposit date: | 2019-02-22 | | Release date: | 2020-02-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of pCW3 conjugation coupling protein TcpA
To be published
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6O1X
 | | Structure of pCW3 conjugation coupling protein TcpA monomer form with ATPgS | | Descriptor: | DNA translocase coupling protein, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, beta-D-glucopyranose | | Authors: | Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C. | | Deposit date: | 2019-02-22 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure of pCW3 conjugation coupling protein TcpA
To be published
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4P48
 | | The structure of a chicken anti-cardiac Troponin I scFv | | Descriptor: | Antibody scFv 180 | | Authors: | Conroy, P.J, Law, R.H.P, Gillgunn, S, Hearty, S, Caradoc-Davies, T.T, Llyod, G, O'Kennedy, R.J, Whisstock, J.C. | | Deposit date: | 2014-03-12 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Reconciling the structural attributes of avian antibodies.
J.Biol.Chem., 289, 2014
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4P49
 | | The structure of a chicken anti-prostate specific antigen scFv | | Descriptor: | ACETATE ION, Antibody scFv B8, SULFATE ION | | Authors: | Conroy, P.J, Law, R.H.P, Gilgunn, S, Hearty, S, Llyod, G, Caradoc-Davies, T.T, O'Kennedy, R.J, Whisstock, J.C. | | Deposit date: | 2014-03-12 | | Release date: | 2014-04-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Reconciling the structural attributes of avian antibodies.
J.Biol.Chem., 289, 2014
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4CXT
 | | BTB domain of KEAP1 in complex with CDDO | | Descriptor: | (13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | | Authors: | Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G. | | Deposit date: | 2014-04-08 | | Release date: | 2014-06-18 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo.
Plos One, 9, 2014
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4DUR
 | | The X-ray Crystal Structure of Full-Length type II Human Plasminogen | | Descriptor: | ACETATE ION, BICARBONATE ION, CHLORIDE ION, ... | | Authors: | Law, R.H.P, Caradoc-Davies, T, Whisstock, J.C. | | Deposit date: | 2012-02-22 | | Release date: | 2012-03-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The X-ray crystal structure of full-length human plasminogen
Cell Rep, 1, 2012
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4DUU
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