4C38
 
 | | PKA-S6K1 Chimera with compound 21e (CCT239066) bound | | Descriptor: | 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR PEPTIDE, ... | | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | | Deposit date: | 2013-08-21 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
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5JQ3
 | | Crystal structure of Ebola glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2, ... | | Authors: | Zhao, Y, Ren, J, Stuart, D.I. | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Toremifene interacts with and destabilizes the Ebola virus glycoprotein.
Nature, 535, 2016
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8SDH
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5OW6
 | | CryoEM structure of recombinant CMV particles with Tetanus-epitope | | Descriptor: | Capsid protein, VP2, VP3, ... | | Authors: | Kotecha, A, Stuart, D.I, Backmann, M. | | Deposit date: | 2017-08-30 | | Release date: | 2017-09-13 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Incorporation of tetanus-epitope into virus-like particles achieves vaccine responses even in older recipients in models of psoriasis, Alzheimer's and cat allergy.
NPJ Vaccines, 2, 2017
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5JZH
 | | Cryo-EM structure of aerolysin prepore | | Descriptor: | Aerolysin | | Authors: | Iacovache, I, Zuber, B. | | Deposit date: | 2016-05-16 | | Release date: | 2016-07-13 | | Last modified: | 2018-10-03 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structure of aerolysin variants reveals a novel protein fold and the pore-formation process.
Nat Commun, 7, 2016
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6M87
 | | Fab 10A6 in complex with MPTS | | Descriptor: | 8-methoxypyrene-1,3,6-trisulfonic acid, Fab 10A6 heavy chain, Fab 10A6 light chain, ... | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2018-08-21 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.609 Å) | | Cite: | Structure and Dynamics of Stacking Interactions in an Antibody Binding Site.
Biochemistry, 58, 2019
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5OYI
 | | FMDV A10 dissociated pentamer | | Descriptor: | Genome polyprotein | | Authors: | Kotecha, A, Malik, N, Stuart, D.I. | | Deposit date: | 2017-09-09 | | Release date: | 2017-09-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | Structures of foot and mouth disease virus pentamers: Insight into capsid dissociation and unexpected pentamer reassociation.
PLoS Pathog., 13, 2017
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1A8U
 | | CHLOROPEROXIDASE T/BENZOATE COMPLEX | | Descriptor: | BENZOIC ACID, CHLOROPEROXIDASE T, SULFATE ION | | Authors: | Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J. | | Deposit date: | 1998-03-26 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural investigation of the cofactor-free chloroperoxidases.
J.Mol.Biol., 279, 1998
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2WWF
 | | Plasmodium falciparum thymidylate kinase in complex with TMP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, SODIUM ION, ... | | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | | Deposit date: | 2009-10-23 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
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2WWI
 | | Plasmodium falciparum thymidylate kinase in complex with AZTMP and ADP | | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, THYMIDILATE KINASE, ... | | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | | Deposit date: | 2009-10-23 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
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1MUH
 | | CRYSTAL STRUCTURE OF TN5 TRANSPOSASE COMPLEXED WITH TRANSPOSON END DNA | | Descriptor: | DNA NON-TRANSFERRED STRAND, DNA TRANSFERRED STRAND, MAGNESIUM ION, ... | | Authors: | Thoden, J.B, Holden, H.M, Davies, D.R, Goryshin, I.Y, Reznikoff, W.S, Rayment, I. | | Deposit date: | 2002-09-23 | | Release date: | 2002-09-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Three-dimensional structure of the Tn5 synaptic complex transposition intermediate.
Science, 289, 2000
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8TFP
 | | Fab from C10-S66K antibody in complex with carfentanil | | Descriptor: | Carfentanil, Heavy chain of Fab from C10-S66K antibody, Light chain of Fab from C10-S66K antibody | | Authors: | Pholcharee, T, Wilson, I.A. | | Deposit date: | 2023-07-11 | | Release date: | 2023-08-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | An Engineered Human-Antibody Fragment with Fentanyl Pan-Specificity That Reverses Carfentanil-Induced Respiratory Depression.
Acs Chem Neurosci, 14, 2023
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8TFQ
 | | Fab from C10-S66K antibody in complex with fentanyl | | Descriptor: | Heavy chain from Fab of C10_S66K antibody, Light chain from Fab of C10_S66K antibody, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | | Authors: | Pholcharee, T, Wilson, I.A. | | Deposit date: | 2023-07-11 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An Engineered Human-Antibody Fragment with Fentanyl Pan-Specificity That Reverses Carfentanil-Induced Respiratory Depression.
Acs Chem Neurosci, 14, 2023
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1A3R
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1A43
 | | STRUCTURE OF THE HIV-1 CAPSID PROTEIN DIMERIZATION DOMAIN AT 2.6A RESOLUTION | | Descriptor: | HIV-1 CAPSID | | Authors: | Worthylake, D.K, Wang, H, Yoo, S, Sundquist, W.I, Hill, C.P. | | Deposit date: | 1998-02-10 | | Release date: | 1999-02-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of the HIV-1 capsid protein dimerization domain at 2.6 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
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1A5U
 | | PYRUVATE KINASE COMPLEX WITH BIS MG-ATP-NA-OXALATE | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, OXALATE ION, ... | | Authors: | Larsen, T.M, Benning, M.M, Rayment, I, Reed, G.H. | | Deposit date: | 1998-02-18 | | Release date: | 1999-03-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the bis(Mg2+)-ATP-oxalate complex of the rabbit muscle pyruvate kinase at 2.1 A resolution: ATP binding over a barrel.
Biochemistry, 37, 1998
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3MDM
 | | Thioperamide complex of Cytochrome P450 46A1 | | Descriptor: | Cholesterol 24-hydroxylase, N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | | Deposit date: | 2010-03-30 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
J.Biol.Chem., 285, 2010
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7VPY
 | | Crystal structure of the neutralizing nanobody P86 against SARS-CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, Nanobody, SULFATE ION | | Authors: | Maeda, R, Fujita, J, Konishi, Y, Kazuma, Y, Yamazaki, H, Anzai, I, Yamaguchi, K, Kasai, K, Nagata, K, Yamaoka, Y, Miyakawa, K, Ryo, A, Shirakawa, K, Makino, F, Matsuura, Y, Inoue, T, Imura, A, Namba, K, Takaori-Kondo, A. | | Deposit date: | 2021-10-18 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A panel of nanobodies recognizing conserved hidden clefts of all SARS-CoV-2 spike variants including Omicron.
Commun Biol, 5, 2022
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1A94
 | | STRUCTURAL BASIS FOR SPECIFICITY OF RETROVIRAL PROTEASES | | Descriptor: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE | | Authors: | Wu, J, Adomat, J.M, Ridky, T.W, Louis, J.M, Leis, J, Harrison, R.W, Weber, I.T. | | Deposit date: | 1998-04-16 | | Release date: | 1999-01-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for specificity of retroviral proteases.
Biochemistry, 37, 1998
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1S3Q
 | | Crystal structures of a novel open pore ferritin from the hyperthermophilic Archaeon Archaeoglobus fulgidus | | Descriptor: | ZINC ION, ferritin | | Authors: | Johnson, E, Cascio, D, Sawaya, M, Schroeder, I. | | Deposit date: | 2004-01-13 | | Release date: | 2005-04-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of a tetrahedral open pore ferritin from the hyperthermophilic archaeon Archaeoglobus fulgidus.
Structure, 13, 2005
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5AQT
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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5AQW
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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2BUF
 | | Arginine Feed-Back Inhibitable Acetylglutamate Kinase | | Descriptor: | ACETYLGLUTAMATE KINASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Ramon-Maiques, S, Fernandez-Murga, M.L, Vagin, A, Fita, I, Rubio, V. | | Deposit date: | 2005-06-12 | | Release date: | 2005-12-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural Bases of Feed-Back Control of Arginine Biosynthesis, Revealed by the Structure of Two Hexameric N-Acetylglutamate Kinases, from Thermotoga Maritima and Pseudomonas Aeruginosa
J.Mol.Biol., 356, 2006
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5AQM
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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5AQY
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, DIMETHYL SULFOXIDE, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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