8P1L
 
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8P1N
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6BNS
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES | | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera | | Authors: | DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H. | | Deposit date: | 2017-11-17 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
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5FRH
 | | Solution structure of oxidised RsrA | | Descriptor: | ANTI-SIGMA FACTOR RSRA | | Authors: | Zdanowski, K, Pecqueur, L, Werner, J, Potts, J.R, Kleanthous, C. | | Deposit date: | 2015-12-17 | | Release date: | 2016-08-03 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Anti-Sigma Factor Rsra Responds to Oxidative Stress by Reburying its Hydrophobic Core.
Nat.Commun., 7, 2016
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6ZQI
 | | Cryo-EM structure of Spondweni virus prME | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein | | Authors: | Renner, M, Dejnirattisai, W, Carrique, L, Serna Martin, I, Karia, D, Ilca, S.L, Ho, S.F, Kotecha, A, Keown, J.R, Mongkolsapaya, J, Screaton, G.R, Grimes, J.M. | | Deposit date: | 2020-07-09 | | Release date: | 2021-01-20 | | Last modified: | 2021-08-04 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Flavivirus maturation leads to the formation of an occupied lipid pocket in the surface glycoproteins.
Nat Commun, 12, 2021
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7NDZ
 | | ThyX reconstituted with N5-carbinolamine flavin | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent thymidylate synthase, ... | | Authors: | Bou-Nader, C, Pecqueur, L, Hamdane, D. | | Deposit date: | 2021-02-02 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An enzymatic activation of formaldehyde for nucleotide methylation.
Nat Commun, 12, 2021
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7NDW
 | | ThyX-FADH2 soaked with 20 mM Formaldehyde | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Flavin-dependent thymidylate synthase, ... | | Authors: | Bou-Nader, C, Pecqueur, L, Hamdane, D. | | Deposit date: | 2021-02-02 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An enzymatic activation of formaldehyde for nucleotide methylation.
Nat Commun, 12, 2021
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7Z3Z
 | | Locked Wuhan SARS-CoV2 Prefusion Spike ectodomain with lipid bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, STEARIC ACID, ... | | Authors: | Duyvesteyn, H.M.E, Carrique, L, Ren, J, Stuart, D.I, Fry, E.E. | | Deposit date: | 2022-03-03 | | Release date: | 2022-05-04 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The SARS-CoV-2 Spike harbours a lipid binding pocket which modulates stability of the prefusion trimer
bioRxiv, 2020
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6XZD
 | | Influenza C virus polymerase complex without chicken ANP32A - Subclass 2 | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*GP*CP*CP*CP*UP*GP*C)-3'), ... | | Authors: | Keown, J.R, Carrique, L, Fan, H, Grimes, J.M, Fodor, E. | | Deposit date: | 2020-02-04 | | Release date: | 2020-12-23 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
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6XZQ
 | | Influenza C virus polymerase in complex with human ANP32A - Subclass 1 | | Descriptor: | Acidic leucine-rich nuclear phosphoprotein 32 family member A, Polymerase acidic protein, Polymerase basic protein 2, ... | | Authors: | Fan, H, Carrique, L, Keown, J.R, Grimes, J.M, Fodor, E. | | Deposit date: | 2020-02-05 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
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6Y0C
 | | Influenza C virus polymerase in complex with human ANP32A - Subclass 2 | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*GP*CP*CP*UP*UP*UP*U)-3'), ... | | Authors: | Fan, H, Carrique, L, Keown, J.R, Grimes, J.M, Fodor, E. | | Deposit date: | 2020-02-07 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
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6EZA
 | | Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K mutant | | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Bou-Nader, C, Bregeon, D, Pecqueur, L, Vincent, G, Fontecave, M, Hamdane, D. | | Deposit date: | 2017-11-14 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
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2V09
 | | SENS161-164DSSN mutant of Bacillus subtilis Oxalate Decarboxylase OxdC | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, OXALATE DECARBOXYLASE OXDC | | Authors: | Burrell, M.R, Just, V.J, Bowater, L, Fairhurst, S.A, Requena, L, Lawson, D.M, Bornemann, S. | | Deposit date: | 2007-05-10 | | Release date: | 2007-10-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Oxalate Decarboxylase and Oxalate Oxidase Activities Can be Interchanged with a Specificity Switch of Up to 282 000 by Mutating an Active Site Lid.
Biochemistry, 46, 2007
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6Z97
 | | Structure of the prefusion SARS-CoV-2 spike glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | | Authors: | Duyvesteyn, H.M.E, Ren, J, Zhao, Y, Zhou, D, Huo, J, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I. | | Deposit date: | 2020-06-03 | | Release date: | 2020-07-01 | | Last modified: | 2020-09-23 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
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6Z43
 | | Cryo-EM Structure of SARS-CoV-2 Spike : H11-D4 Nanobody Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, ... | | Authors: | Ruza, R.R, Duyvesteyn, H.M.E, Shah, P, Carrique, L, Ren, J, Malinauskas, T, Zhou, D, Stuart, D.I, Naismith, J.H. | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-03 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for a potent neutralising single-domain antibody that blocks SARS-CoV-2 binding to its receptor ACE2
To Be Published
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5KH0
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7NHX
 | | 1918 H1N1 Viral influenza polymerase heterotrimer - full transcriptase (Class1) | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, RNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)-3'), ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-11 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NIS
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8192 core | | Descriptor: | Nanobody8192 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-13 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (5.96 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NK1
 | | 1918 Influenza virus polymerase heterotirmer in complex with vRNA promoters and Nb8201 | | Descriptor: | Nanobody8201, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-17 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.22 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NKI
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8209 core | | Descriptor: | Nb8209, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-18 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.67 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NKR
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8210 | | Descriptor: | Nb8210, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-18 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NK6
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8204 | | Descriptor: | Nb8204, Polymerase acidic protein, Polymerase basic protein 2,Polymerase basic protein 2, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-17 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (6.72 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NHA
 | | 1918 H1N1 Viral influenza polymerase heterotrimer - Endonuclease and priming loop ordered (Class2a) | | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, RNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)-3'), ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-10 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NJ7
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8200 core | | Descriptor: | Nb8200 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-16 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (4.82 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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7NIK
 | | 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8189 core | | Descriptor: | Nanobody8189 core, Polymerase acidic protein, Polymerase basic protein 2,Immunoglobulin G-binding protein A, ... | | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | | Deposit date: | 2021-02-12 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Mapping inhibitory sites on the RNA polymerase of the 1918 pandemic influenza virus using nanobodies.
Nat Commun, 13, 2022
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