6XQA
 
 | | Crystal Structure of HLA A*2402 in complex with TYQWVLKNL, an 9-mer epitope from Influenza B virus | | Descriptor: | Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ... | | Authors: | Nguyen, A.T, Szeto, C, Gras, S. | | Deposit date: | 2020-07-09 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
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6XFR
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7N6M
 | | Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RQKPLLGLSR | | Descriptor: | Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION | | Authors: | Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C. | | Deposit date: | 2021-06-08 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6XM2
 | | The structure of the 4A11.v7 antibody in complex with human TGFb2 | | Descriptor: | 4A11.v7 heavy chain Fab (VH-CH1) IgG1 humanized, 4A11.v7 kappa light chain Fab (VL-CL) humanized, Transforming growth factor beta-2 | | Authors: | Lupardus, P.J, Yin, J.P. | | Deposit date: | 2020-06-29 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | TGF beta 2 and TGF beta 3 isoforms drive fibrotic disease pathogenesis.
Sci Transl Med, 13, 2021
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7NEA
 | | Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum (M3 mutant). | | Descriptor: | Branched-chain-amino-acid aminotransferase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Boyko, K.M, Petrova, T, Nikolaeva, A.Y, Zeifman, Y.S, Rakitina, T.V, Suplatov, D.A, Popov, V.O, Bezsudnova, E.Y. | | Deposit date: | 2021-02-03 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing the role of the residues in the active site of the transaminase from Thermobaculum terrenum.
Plos One, 16, 2021
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7NEB
 | | Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum (M4 mutant) | | Descriptor: | Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION | | Authors: | Boyko, K.M, Petrova, T, Nikolaeva, A.Y, Zeifman, Y.S, Rakitina, T.V, Suplatov, D.A, Popov, V.O, Bezsudnova, E.Y. | | Deposit date: | 2021-02-03 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Probing the role of the residues in the active site of the transaminase from Thermobaculum terrenum.
Plos One, 16, 2021
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6URC
 | | Crystal structure of IRE1a in complex with compound 18 | | Descriptor: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Wallweber, H.H, Wang, W. | | Deposit date: | 2019-10-23 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6V90
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6YCE
 | | Structure the bromelain protease from Ananas comosus with a thiomethylated active cysteine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FBSB, ISOPROPYL ALCOHOL, ... | | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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6YEN
 | | Crystal structure of AmpC from E. coli with Taniborbactam (VNRX-5133) | | Descriptor: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, ... | | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | | Deposit date: | 2020-03-25 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.418 Å) | | Cite: | Bicyclic Boronates as Potent Inhibitors of AmpC, the Class C beta-Lactamase from Escherichia coli .
Biomolecules, 10, 2020
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6YHN
 | | Crystal structure of domains 4-5 of CNFy from Yersinia pseudotuberculosis | | Descriptor: | (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, Cytotoxic necrotizing factor, ... | | Authors: | Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W. | | Deposit date: | 2020-03-30 | | Release date: | 2020-12-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
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6Y1X
 | | X-ray structure of the radical SAM protein NifB, a key nitrogenase maturating enzyme | | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, Radical SAM domain protein, ... | | Authors: | Sosa-Fajardo, A, Legrand, P, Paya-Tormo, L, Martin, L, Pellicer-Martinez, M.T, Echavarri-Erasun, C, Vernede, X, Rubio, L.M, Nicolet, Y. | | Deposit date: | 2020-02-14 | | Release date: | 2020-06-17 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Insights into the Mechanism of the Radical SAM Carbide Synthase NifB, a Key Nitrogenase Cofactor Maturating Enzyme.
J.Am.Chem.Soc., 142, 2020
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6V1D
 | | Crystal structure of human trefoil factor 1 | | Descriptor: | Trefoil factor 1 | | Authors: | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | | Deposit date: | 2019-11-20 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
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6YCF
 | | Structure the bromelain protease from Ananas comosus in complex with the E64 inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, FBSB, ... | | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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6V8K
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6V3P
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6YPH
 | | Crystal Structure of CK2alpha with Compound 2 bound | | Descriptor: | 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2020-04-16 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
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6YPN
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6V8N
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6V1C
 | | Crystal structure of human trefoil factor 3 in complex with its cognate ligand | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3 | | Authors: | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | | Deposit date: | 2019-11-20 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
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6VEA
 | | Structure of the Glutamate-Like Receptor GLR3.2 ligand-binding domain in complex with Glycine | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCINE, Glutamate receptor 3.2, ... | | Authors: | Gangwar, S.P, Green, M.N, Yoder, J.B, Sobolevsky, A.I. | | Deposit date: | 2019-12-30 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structure of the Arabidopsis Glutamate Receptor-like Channel GLR3.2 Ligand-Binding Domain.
Structure, 29, 2021
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6YPJ
 | | Crystal Structure of CK2alpha with Compound 1 bound | | Descriptor: | 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2020-04-16 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
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6V8B
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6Y0J
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6YF3
 | | FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution | | Descriptor: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Kallen, J. | | Deposit date: | 2020-03-25 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
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