7V0N
 
 | | Cryo-EM structure of SINV/EEEV in complex with Fab fragment of a moderately/weakly neutralizing human antibody IgG-21 | | Descriptor: | IgG 21 Fab heavy chain, IgG 21 Fab light chain, Spike glycoprotein E1, ... | | Authors: | Bandyopadhyay, A, Klose, T, Kuhn, R.J. | | Deposit date: | 2022-05-10 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | Structural constraints link differences in neutralization potency of human anti-Eastern equine encephalitis virus monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7V0O
 | | Cryo-EM structure of SINV/EEEV in complex with Fab fragment of a moderately/weakly neutralizing human antibody IgG-94 | | Descriptor: | IgG 94 Fab heavy chain, IgG 94 Fab light chain, Spike glycoprotein E1, ... | | Authors: | Bandyopadhyay, A, Klose, T, Kuhn, R.J. | | Deposit date: | 2022-05-10 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Structural constraints link differences in neutralization potency of human anti-Eastern equine encephalitis virus monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7V0P
 | | Cryo-EM structure of SINV/EEEV in complex with Fab fragment of a potently neutralizing human antibody IgG-106 | | Descriptor: | IgG 106 Fab heavy chain, IgG 106 Fab light chain, Spike glycoprotein E1, ... | | Authors: | Bandyopadhyay, A, Klose, T, Kuhn, R.J. | | Deposit date: | 2022-05-10 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (5.2 Å) | | Cite: | Structural constraints link differences in neutralization potency of human anti-Eastern equine encephalitis virus monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4MSU
 | | Human GKRP bound to AMG-6861 and Sorbitol-6-phosphate | | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | Ashton, K.S, Andrews, K.L, Bryan, M.C, Chen, J, Chen, K, Chen, M, Chmait, S, Croghan, M, Cupples, R, Fotsch, C, Helmering, J, Jordan, S.R, Kurzeja, R.J, Michelsen, K, Pennington, L.D, Poon, S.F, Sivits, G, Van, G, Vonderfecht, S.L, Wahl, R.C, Zhang, J, Lloyd, D.J, Hale, C, St Jean, D.J. | | Deposit date: | 2013-09-18 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 1. Discovery of a Novel Tool Compound for in Vivo Proof-of-Concept.
J.Med.Chem., 57, 2014
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7UG8
 | | Crystal structure of a solute receptor from Synechococcus CC9311 in complex with alpha-ketovaleric and calcium | | Descriptor: | 1,2-ETHANEDIOL, 2-oxopentanoic acid, CALCIUM ION, ... | | Authors: | Shah, B.S, Mikolajek, H, Orr, C.M, Mykhaylyk, V, Owens, R.J, Paulsen, I.T. | | Deposit date: | 2022-03-24 | | Release date: | 2023-04-19 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.796 Å) | | Cite: | Crystal structure of a solute receptor from Synechococcus CC9311 in complex with alpha-ketovaleric and calcium
To Be Published
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5CMI
 | | GTA mutant without mercury - E303D | | Descriptor: | Histo-blood group ABO system transferase | | Authors: | Gagnon, S.M.L, Blackler, R.J. | | Deposit date: | 2015-07-16 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
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3S9V
 | | abietadiene synthase from Abies grandis | | Descriptor: | Abietadiene synthase, chloroplastic | | Authors: | Zhou, K, Hoy, J.A, Mann, F.M, Honzatko, R.B, Peters, R.J. | | Deposit date: | 2011-06-02 | | Release date: | 2012-01-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insights into diterpene cyclization from structure of bifunctional abietadiene synthase from Abies grandis.
J.Biol.Chem., 287, 2012
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3NAR
 | | Crystal structure of ZHX1 HD4 (zinc-fingers and homeoboxes protein 1, homeodomain 4) | | Descriptor: | SULFATE ION, Zinc fingers and homeoboxes protein 1 | | Authors: | Ren, J, Bird, L.E, Owens, R.J, Stammers, D.K, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2010-06-02 | | Release date: | 2010-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel structural features in two ZHX homeodomains derived from a systematic study of single and multiple domains
Bmc Struct.Biol., 10, 2010
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2BZY
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8D04
 | | Hallucinated C2 protein assembly HALC2_062 | | Descriptor: | HALC2_062 | | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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8D07
 | | Hallucinated C3 protein assembly HALC3_109 | | Descriptor: | HALC3_109 | | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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8D05
 | | Hallucinated C2 protein assembly HALC2_065 | | Descriptor: | HALC2_065 | | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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8D08
 | | Hallucinated C4 protein assembly HALC4_135 | | Descriptor: | HALC4_135 | | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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8D03
 | | Hallucinated C2 protein assembly HALC2_068 | | Descriptor: | HALC2_068 | | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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2BUD
 | | The solution structure of the chromo barrel domain from the males- absent on the first (MOF) protein | | Descriptor: | MALES-ABSENT ON THE FIRST PROTEIN | | Authors: | Nielsen, P.R, Nietlispach, D, Buscaino, A, Warner, R.J, Akhtar, A, Murzin, A.G, Murzina, N.V, Laue, E.D. | | Deposit date: | 2005-06-09 | | Release date: | 2005-06-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the Chromo Barrel Domain from the Mof Acetyltransferase
J.Biol.Chem., 280, 2005
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5A9D
 | | Crystal structure of the extracellular domain of PepT1 | | Descriptor: | GLYCEROL, SOLUTE CARRIER FAMILY 15 MEMBER 1 | | Authors: | Beale, J.H, Bird, L.E, Owens, R.J, Newstead, S. | | Deposit date: | 2015-07-20 | | Release date: | 2015-09-09 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of the Extracellular Domain from Pept1 and Pept2 Provide Novel Insights Into Mammalian Peptide Transport
Structure, 23, 2015
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8D09
 | | Hallucinated C4 protein assembly HALC4_136 | | Descriptor: | HALC4_136 | | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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8D06
 | | Hallucinated C3 protein assembly HALC3_104 | | Descriptor: | HALC3_104 | | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Hallucinating symmetric protein assemblies.
Science, 378, 2022
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8CTB
 | | Human PRMT5:MEP50 structure with Fragment 3 and MTA Bound | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, 7-chloro-1-methyl-1H-benzimidazol-2-amine, Methylosome protein 50, ... | | Authors: | Gunn, R.J, Lawson, J.D, Smith, C.R. | | Deposit date: | 2022-05-13 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
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5AGD
 | | An inactive (D125N) variant of the catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with alpha-1,6-mannopentaose | | Descriptor: | ALPHA-1,6-MANNANASE, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose | | Authors: | Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Chandler, E, Temple, M.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J. | | Deposit date: | 2015-01-29 | | Release date: | 2015-03-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
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3S12
 | | Crystal structure of H5N1 influenza virus hemagglutinin, strain YU562 crystal form 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J. | | Deposit date: | 2011-05-14 | | Release date: | 2011-12-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.
Plos Pathog., 7, 2011
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3NMK
 | | Crystal structure of a zinc mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2 | | Descriptor: | N-1,10-phenanthrolin-5-ylacetamide, PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ... | | Authors: | Radford, R.J, Tezcan, F.A. | | Deposit date: | 2010-06-22 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Porous protein frameworks with unsaturated metal centers in sterically encumbered coordination sites.
Chem.Commun.(Camb.), 47, 2011
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2BDX
 | | X-ray Crystal Structure of dihydromicrocystin-LA bound to Protein Phosphatase-1 | | Descriptor: | DIHYDROMICROCYSTIN-LA, MANGANESE (II) ION, Serine/threonine protein phosphatase PP1-gamma catalytic subunit | | Authors: | Maynes, J.T, Luu, H.A, Cherney, M.M, Andersen, R.J, Williams, D, Holmes, C.F, James, M.N. | | Deposit date: | 2005-10-21 | | Release date: | 2006-01-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of Protein Phosphatase-1 Bound to Motuporin and Dihydromicrocystin-LA: Elucidation of the Mechanism of Enzyme Inhibition by Cyanobacterial Toxins.
J.Mol.Biol., 356, 2006
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4JUL
 | | Crystal structure of H5N1 influenza virus hemagglutinin, clade 2.3.4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | | Authors: | DuBois, R.M, Zaraket, H, Reddivari, M, Coop, T, Heath, R.J, White, S.W, Russell, C.J. | | Deposit date: | 2013-03-25 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7927 Å) | | Cite: | To be published
To be Published
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7UYF
 | | Human PRMT5:MEP50 structure with Fragment 4 and MTA Bound | | Descriptor: | 4-methyl-1,5-naphthyridin-2-amine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... | | Authors: | Gunn, R.J, Lawson, J.D, Smith, C.R. | | Deposit date: | 2022-05-06 | | Release date: | 2022-10-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
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