7PCN
 
 | | BurG (holo) in complex with gonyenediol (14), trigonic acid (6) and DMS: Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic acid, (METHYLSULFANYL)METHANE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCI
 | | BurG (holo) in complex with hydroxypyruvate-enol (8): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (Z)-2,3-bis(oxidanyl)prop-2-enoic acid, IMIDAZOLE, Ketol-acid reductoisomerase, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCL
 | | BurG (holo) in complex with 2-hydroxy-2-(hydroxy(isopropyl)amino)acetate (11): Biosynthesis of cyclopropanolrings in bacterial toxins | | Descriptor: | (2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7VLK
 | | eIF2B-SFSV NSs C2-imposed | | Descriptor: | Non-structural protein NS-S, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | | Authors: | Kashiwagi, K, Ito, T. | | Deposit date: | 2021-10-04 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.27 Å) | | Cite: | eIF2B-capturing viral protein NSs suppresses the integrated stress response.
Nat Commun, 12, 2021
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6XOG
 | | Structure of SUMO1-ML786519 adduct bound to SAE | | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | | Authors: | Sintchak, M, Lane, W, Bump, N. | | Deposit date: | 2020-07-07 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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6XOH
 | | Structure of SUMO1-ML00789344 adduct bound to SAE | | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | | Authors: | Sintchak, M, Lane, W, Bump, N. | | Deposit date: | 2020-07-07 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.226 Å) | | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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6XOI
 | | Structure of SUMO1-ML00752641 adduct bound to SAE | | Descriptor: | SULFATE ION, SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ... | | Authors: | Sintchak, M, Lane, W, Bump, N. | | Deposit date: | 2020-07-07 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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2IO5
 | | Crystal structure of the CIA- histone H3-H4 complex | | Descriptor: | ASF1A protein, Histone H3.1, Histone H4 | | Authors: | Natsume, R, Akai, Y, Horikoshi, M, Senda, T. | | Deposit date: | 2006-10-10 | | Release date: | 2007-02-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and function of the histone chaperone CIA/ASF1 complexed with histones H3 and H4.
Nature, 446, 2007
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4YN8
 | | Crystal Structure of Response Regulator ChrA in Heme-Sensing Two Component System | | Descriptor: | MAGNESIUM ION, Response regulator ChrA, SULFATE ION | | Authors: | Doi, A, Nakamura, H, Shiro, Y, Sugimoto, H. | | Deposit date: | 2015-03-09 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the response regulator ChrA in the haem-sensing two-component system of Corynebacterium diphtheriae.
Acta Crystallogr.,Sect.F, 71, 2015
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5ZC9
 | | Crystal structure of the human eIF4A1-ATP analog-RocA-polypurine RNA complex | | Descriptor: | (1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ... | | Authors: | Iwasaki, W, Takahashi, M, Sakamoto, A, Iwasaki, S, Ito, T. | | Deposit date: | 2018-02-16 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Translation Inhibitor Rocaglamide Targets a Bimolecular Cavity between eIF4A and Polypurine RNA.
Mol. Cell, 73, 2019
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6IO0
 | | Human IDH1 R132C mutant complexed with compound A. | | Descriptor: | (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ... | | Authors: | Suzuki, M, Baba, D, Hanzawa, H. | | Deposit date: | 2018-10-29 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.
Mol.Cancer Ther., 19, 2020
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1LOP
 | | CYCLOPHILIN A COMPLEXED WITH SUCCINYL-ALA-PRO-ALA-P-NITROANILIDE | | Descriptor: | CYCLOPHILIN A, SUCCINYL-ALA-PRO-ALA-P-NITROANILIDE | | Authors: | Konno, M. | | Deposit date: | 1996-06-17 | | Release date: | 1996-12-23 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The substrate-binding site in Escherichia coli cyclophilin A preferably recognizes a cis-proline isomer or a highly distorted form of the trans isomer.
J.Mol.Biol., 256, 1996
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7F67
 | | eIF2B-SFSV NSs-2-eIF2 | | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, Non-structural protein NS-S, ... | | Authors: | Kashiwagi, K, Ito, T. | | Deposit date: | 2021-06-24 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | eIF2B-capturing viral protein NSs suppresses the integrated stress response.
Nat Commun, 12, 2021
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7F66
 | | eIF2B-SFSV NSs-1-eIF2 | | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, Non-structural protein NS-S, ... | | Authors: | Kashiwagi, K, Ito, T. | | Deposit date: | 2021-06-24 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | eIF2B-capturing viral protein NSs suppresses the integrated stress response.
Nat Commun, 12, 2021
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7F64
 | | eIF2B-SFSV NSs | | Descriptor: | Non-structural protein NS-S, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | | Authors: | Kashiwagi, K, Ito, T. | | Deposit date: | 2021-06-24 | | Release date: | 2021-12-08 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | eIF2B-capturing viral protein NSs suppresses the integrated stress response.
Nat Commun, 12, 2021
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7D4C
 | | Structure of L-lysine oxidase precursor | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-Lysine alpha-oxidase, PHOSPHATE ION | | Authors: | Ito, N, Kitagawa, M, Matsumoto, Y, Inagaki, K, Imada, K. | | Deposit date: | 2020-09-23 | | Release date: | 2021-02-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural basis of enzyme activity regulation by the propeptide of l-lysine alpha-oxidase precursor from Trichoderma viride .
J Struct Biol X, 5, 2021
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7D4D
 | | Structure of L-lysine oxidase precursor in complex with L-lysine (1.24M) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-Lysine alpha-oxidase, LYSINE | | Authors: | Kitagawa, M, Ito, N, Matsumoto, Y, Inagaki, K, Imada, K. | | Deposit date: | 2020-09-23 | | Release date: | 2021-02-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural basis of enzyme activity regulation by the propeptide of l-lysine alpha-oxidase precursor from Trichoderma viride .
J Struct Biol X, 5, 2021
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7D4E
 | | Structure of L-lysine oxidase precursor in complex with L-lysine (1.0 M) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-Lysine alpha-oxidase, LYSINE | | Authors: | Kitagawa, M, Ito, N, Matsumoto, Y, Inagaki, K, Imada, K. | | Deposit date: | 2020-09-23 | | Release date: | 2021-02-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of enzyme activity regulation by the propeptide of l-lysine alpha-oxidase precursor from Trichoderma viride .
J Struct Biol X, 5, 2021
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6W52
 | | Prefusion RSV F bound by neutralizing antibody RSB1 | | Descriptor: | Fusion glycoprotein F0, Fusion glycoprotein F1 fused with Fibritin trimerization domain, RSB1 Fab Heavy Chain, ... | | Authors: | Harshbarger, W, Chandramouli, S, Malito, M. | | Deposit date: | 2020-03-12 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.74 Å) | | Cite: | Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F.
Plos Pathog., 16, 2020
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6E3H
 | | Crystal structure of S9-3-37 bound to H5 influenza hemagglutinin | | 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: | Wu, N.C, Wilson, I.A. | | Deposit date: | 2018-07-14 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The D3-9 gene segment encodes for recurring and adaptable binding motifs in broadly neutralizing antibodies to influenza virus
Cell Host Microbe, 2018
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3KC6
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3KHW
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3L56
 | | Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1) | | Descriptor: | Polymerase PB2 | | Authors: | Staker, B.L, Edwards, T, Eric, S, Raymond, A, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2009-12-21 | | Release date: | 2010-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
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1JDO
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6AAJ
 | | Crystal structure of JAK2 in complex with peficitinib | | Descriptor: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Amano, Y, Tateishi, Y. | | Deposit date: | 2018-07-18 | | Release date: | 2018-08-15 | | Last modified: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor
Bioorg. Med. Chem., 26, 2018
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