7AEG
 
 | | SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
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1AHC
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1AHA
 | | THE N-GLYCOSIDASE MECHANISM OF RIBOSOME-INACTIVATING PROTEINS IMPLIED BY CRYSTAL STRUCTURES OF ALPHA-MOMORCHARIN | | Descriptor: | ADENINE, ALPHA-MOMORCHARIN | | Authors: | Ren, J, Wang, Y, Dong, Y, Stuart, D.I. | | Deposit date: | 1994-01-07 | | Release date: | 1994-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Structure, 2, 1994
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1AHB
 | | THE N-GLYCOSIDASE MECHANISM OF RIBOSOME-INACTIVATING PROTEINS IMPLIED BY CRYSTAL STRUCTURES OF ALPHA-MOMORCHARIN | | Descriptor: | ALPHA-MOMORCHARIN, FORMYCIN-5'-MONOPHOSPHATE | | Authors: | Ren, J, Wang, Y, Dong, Y, Stuart, D.I. | | Deposit date: | 1994-01-07 | | Release date: | 1994-06-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The N-glycosidase mechanism of ribosome-inactivating proteins implied by crystal structures of alpha-momorcharin.
Structure, 2, 1994
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7AEH
 | | SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 | | Descriptor: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
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1B8M
 | | BRAIN DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-4 | | Descriptor: | PROTEIN (BRAIN DERIVED NEUROTROPHIC FACTOR), PROTEIN (NEUROTROPHIN-4) | | Authors: | Robinson, R.C, Radziejewski, C, Stuart, D.I, Jones, E.Y, Choe, S. | | Deposit date: | 1999-02-01 | | Release date: | 1999-02-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The structures of the neurotrophin 4 homodimer and the brain-derived neurotrophic factor/neurotrophin 4 heterodimer reveal a common Trk-binding site.
Protein Sci., 8, 1999
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1B98
 | | NEUROTROPHIN 4 (HOMODIMER) | | Descriptor: | CHLORIDE ION, PROTEIN (NEUROTROPHIN-4) | | Authors: | Robinson, R.C, Radziejewski, C, Stuart, D.I, Jones, E.Y, Choe, S. | | Deposit date: | 1999-02-22 | | Release date: | 1999-02-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The structures of the neurotrophin 4 homodimer and the brain-derived neurotrophic factor/neurotrophin 4 heterodimer reveal a common Trk-binding site.
Protein Sci., 8, 1999
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1W4B
 | | P4 protein from PHI12 in complex with product (AMPcPP Mg 22C) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NTPASE P4 | | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | | Deposit date: | 2004-07-22 | | Release date: | 2004-11-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
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1W46
 | | P4 protein from Bacteriophage PHI12 in complex with ADP and MG | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NTPASE P4 | | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | | Deposit date: | 2004-07-22 | | Release date: | 2004-11-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
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1W9Z
 | | Structure of Bannavirus VP9 | | Descriptor: | VP9 | | Authors: | Jaafar, F.M, Attoui, H, Bahar, M.W, Siebold, C, Sutton, G, Mertens, P.P.C, Micco, P, Stuart, D.I, Grimes, J.M, Lamballerie, X. | | Deposit date: | 2004-10-21 | | Release date: | 2005-04-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | The Structure and Function of the Outer Coat Protein Vp9 of Banna Virus
Structure, 13, 2005
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1W4C
 | | P4 protein from Bacteriophage PHI12 apo state | | Descriptor: | NTPASE P4 | | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | | Deposit date: | 2004-07-22 | | Release date: | 2004-11-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
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1WAC
 | | Back-priming mode of Phi6 RNA-dependent RNA polymerase | | Descriptor: | P2 PROTEIN | | Authors: | Laurila, M.R.L, Salgado, P.S, Stuart, D.I, Grimes, J.M, Bamford, D.H. | | Deposit date: | 2004-10-26 | | Release date: | 2005-01-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Back-Priming Mode of Phi6 RNA-Dependent RNA Polymerase
J.Gen.Virol., 86, 2005
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1W44
 | | P4 protein from Bacteriophage PHI12 in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, NTPASE P4 | | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | | Deposit date: | 2004-07-22 | | Release date: | 2004-10-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
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1W47
 | | P4 protein from Bacteriophage PHI12 in complex with ADP and MN | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, NTPASE P4 | | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | | Deposit date: | 2004-07-22 | | Release date: | 2004-11-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
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1W49
 | | P4 protein from Bacteriophage PHI12 in complex with AMPcPP and Mg | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, NTPASE P4 | | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | | Deposit date: | 2004-07-22 | | Release date: | 2004-10-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
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1W48
 | | P4 protein from Bacteriophage PHI12 in complex with AMPcPP | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, NTPASE P4 | | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | | Deposit date: | 2004-07-22 | | Release date: | 2004-10-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
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1W4A
 | | P4 protein from PHI12 in complex with AMPcPP and Mn | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MANGANESE (II) ION, NTPASE P4 | | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | | Deposit date: | 2004-07-22 | | Release date: | 2004-10-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
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6F6I
 | | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH PAROXETINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Envelope glycoprotein, ... | | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | | Deposit date: | 2017-12-05 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.
J. Med. Chem., 61, 2018
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6F6N
 | | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH SERTRALINE | | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | | Deposit date: | 2017-12-05 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.
J. Med. Chem., 61, 2018
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6F6S
 | | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH benztropine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Envelope glycoprotein, ... | | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | | Deposit date: | 2017-12-06 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.
J. Med. Chem., 61, 2018
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1YJD
 | | Crystal structure of human CD28 in complex with the Fab fragment of a mitogenic antibody (5.11A1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab fragment of 5.11A1 antibody heavy chain, Fab fragment of 5.11A1 antibody light chain, ... | | Authors: | Evans, E.J, Esnouf, R.M, Manso-Sancho, R, Gilbert, R.J.C, James, J.R, Sorensen, P, Stuart, D.I, Davis, S.J. | | Deposit date: | 2005-01-14 | | Release date: | 2005-02-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of a soluble CD28-Fab complex
Nat.Immunol., 6, 2005
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1PYK
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1ZBE
 | | Foot-and Mouth Disease Virus Serotype A1061 | | Descriptor: | Coat protein VP1, Coat protein VP2, Coat protein VP3, ... | | Authors: | Fry, E.E, Newman, J.W, Curry, S, Najjam, S, Jackson, T, Blakemore, W, Lea, S.M, Miller, L, Burman, A, King, A.M, Stuart, D.I. | | Deposit date: | 2005-04-08 | | Release date: | 2005-06-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of Foot-and-mouth disease virus serotype A1061 alone and complexed with oligosaccharide receptor: receptor conservation in the face of antigenic variation.
J.Gen.Virol., 86, 2005
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1MU2
 | | CRYSTAL STRUCTURE OF HIV-2 REVERSE TRANSCRIPTASE | | Descriptor: | GLYCEROL, HIV-2 RT, SULFATE ION | | Authors: | Ren, J, Bird, L.E, Chamberlain, P.P, Stewart-Jones, G.B, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-09-23 | | Release date: | 2002-10-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of HIV-2 reverse transcriptase at 2.35-A resolution and the mechanism of resistance to non-nucleoside inhibitors
Proc.Natl.Acad.Sci.USA, 99, 2002
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1ZBA
 | | Foot-and-Mouth Disease virus serotype A1061 complexed with oligosaccharide receptor. | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Coat protein VP1, Coat protein VP2, ... | | Authors: | Fry, E.E, Newman, J.W, Curry, S, Najjam, S, Jackson, T, Blakemore, W, Lea, S.M, Miller, L, Burman, A, King, A.M, Stuart, D.I. | | Deposit date: | 2005-04-08 | | Release date: | 2005-06-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Foot-and-mouth disease virus serotype A1061 alone and complexed with oligosaccharide receptor: receptor conservation in the face of antigenic variation.
J.Gen.Virol., 86, 2005
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