8A76
 
 | | Metallo-beta-lactamase NDM-1 in complex with 1,2,4-Triazole-3-thione compound 26 | | 分子名称: | (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Vascon, F, Legru, A, Hernandez, J.F, Cendron, L. | | 登録日 | 2022-06-20 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
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5UD7
 | | Crystal Structure of Wild-Type Ig-like Domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IODIDE ION, SULFATE ION, ... | | 著者 | Sudom, A, Min, X, Wang, Z. | | 登録日 | 2016-12-23 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.20002246 Å) | | 主引用文献 | Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
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5EZ9
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6EXT
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8R5C
 | | Crystal structure of human TRIM7 PRYSPRY domain bound to (2-(1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine | | 分子名称: | (2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoic acid, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM7, ... | | 著者 | Munoz Sosa, C.J, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-11-16 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A C-Degron Structure-Based Approach for the Development of Ligands Targeting the E3 Ligase TRIM7.
Acs Chem.Biol., 19, 2024
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5U16
 | | Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR | | 分子名称: | 2-hydroxynaphthalene-1-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ... | | 著者 | Keller, A.N, Birkinshaw, R.W, Rossjohn, J. | | 登録日 | 2016-11-27 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
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5EZH
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 21 at 1.7A resolution | | 分子名称: | HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide | | 著者 | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | | 登録日 | 2015-11-26 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
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6J82
 | | Crystal structure of TleB apo | | 分子名称: | Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Alblova, M, Nakamura, H, Mori, T, Abe, I. | | 登録日 | 2019-01-18 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | | 主引用文献 | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019
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6EZV
 | | The cytotoxin MakA from Vibrio cholerae | | 分子名称: | ACETATE ION, CACODYLATE ION, GLYCEROL, ... | | 著者 | Persson, K, Dongre, M, Wai, S.N. | | 登録日 | 2017-11-16 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Flagella-mediated secretion of a novelVibrio choleraecytotoxin affecting both vertebrate and invertebrate hosts.
Commun Biol, 1, 2018
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7JX3
 | | Mapping neutralizing and immunodominant sites on the SARS-CoV-2 spike receptor-binding domain by structure-guided high-resolution serology | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab domain of monoclonal antibody S2H14, Heavy chain of Fab domain of monoclonal antibody S304, ... | | 著者 | Snell, G, Czudnochowski, N, Rosen, L.E, Nix, J.C, Corti, D, Veesler, D, Park, Y.J, Walls, A.C, Tortorici, M.A, Cameroni, E, Pinto, D, Beltramello, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2020-08-26 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
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6J88
 | | Crystal structure of HinD with benzo[b]thiophen analog | | 分子名称: | N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide, Nocardicin N-oxygenase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Fei, H, Mori, T, Abe, I. | | 登録日 | 2019-01-18 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019
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5UDX
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with zinc | | 分子名称: | Lactate racemization operon protein LarE, PHOSPHATE ION, SULFATE ION, ... | | 著者 | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | | 登録日 | 2016-12-28 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.784 Å) | | 主引用文献 | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7ZMZ
 | | Engineered Interleukin 2 bound to CD25 receptor | | 分子名称: | Interleukin-2, Interleukin-2 receptor subunit alpha | | 著者 | Fyfe, P.K, Moraga, I, Gaggero, S, Mitra, S. | | 登録日 | 2022-04-20 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | IL-2 is inactivated by the acidic pH environment of tumors enabling engineering of a pH-selective mutein.
Sci Immunol, 7, 2022
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7ZV8
 | | Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 58 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, OCTANOIC ACID (CAPRYLIC ACID), ... | | 著者 | Rahimova, R, Di Micco, S, Marquez, J.A. | | 登録日 | 2022-05-13 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.937 Å) | | 主引用文献 | Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
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6ARL
 | | Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with rubidium ions | | 分子名称: | Acetyl-CoA acetyltransferase, CHLORIDE ION, GLYCEROL, ... | | 著者 | Marshall, A.C, Bond, C.S, Bruning, J.B. | | 登録日 | 2017-08-22 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations
Acs Catalysis, 8(3), 2018
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7KJG
 | | F96M epi-isozizaene synthase: complex with 3 Mg2+ and BTAC | | 分子名称: | GLYCEROL, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | | 著者 | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | | 登録日 | 2020-10-26 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
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7KK6
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5U2M
 | | Crystal structure of human NAMPT with A-1293201 | | 分子名称: | N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | | 著者 | Longenecker, K.L, Raich, D, Korepanova, A.V. | | 登録日 | 2016-11-30 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
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6ESD
 | | Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum | | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA | | 著者 | Lai, H.E, Morgan, M, Moore, S, Freemont, P. | | 登録日 | 2017-10-20 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A semi-synthetic strategy for derivatization of the violacein natural product scaffold
Biorxiv, 2017
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6PFQ
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8QXP
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6F0M
 | | GLIC mutant E35Q | | 分子名称: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | 著者 | Hu, H.D, Delarue, M. | | 登録日 | 2017-11-20 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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6PG3
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6ESL
 | | Crystal structure of the Legionella pneumoppila LapA | | 分子名称: | Bacterial leucyl aminopeptidase, ZINC ION | | 著者 | Richardson, K, Garnett, J.A. | | 登録日 | 2017-10-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Type II Secretion-Dependent Aminopeptidase LapA and Acyltransferase PlaC Are Redundant for Nutrient Acquisition duringLegionella pneumophilaIntracellular Infection of Amoebas.
MBio, 9, 2018
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8R5D
 | | Crystal structure of human TRIM7 PRYSPRY domain | | 分子名称: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM7, MALONIC ACID | | 著者 | Munoz Sosa, C.J, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-11-16 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A C-Degron Structure-Based Approach for the Development of Ligands Targeting the E3 Ligase TRIM7.
Acs Chem.Biol., 19, 2024
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