9OMT
 
 | | X-ray structure of paraoxon (POX)-inhibited human acetylcholinesterase (hAChE) in complex with bis-oxime reactivator LG-1922 | | 分子名称: | (2E)-2-(hydroxyimino)-N-{3-[(3R)-3-(2-{[(2E)-2-(hydroxyimino)acetyl]amino}ethyl)piperidin-1-yl]propyl}acetamide, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | | 著者 | Kovalevsky, A, Radic, Z, Gerlits, O. | | 登録日 | 2025-05-14 | | 公開日 | 2025-07-30 | | 実験手法 | X-RAY DIFFRACTION (2.704 Å) | | 主引用文献 | Kinetic and structural evidence for specific DMSO interference with reversible binding of uncharged bis-oximes to hAChE and their reactivation kinetics of OP-hAChE.
Chem.Biol.Interact., 419, 2025
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9OWC
 | | Human WRN helicase in complex with allosteric ligand Compound 7 | | 分子名称: | 1,2-ETHANEDIOL, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, DIMETHYL SULFOXIDE, ... | | 著者 | Palte, R.L, Koglin, M, Maskos, K, Tauchert, M.J. | | 登録日 | 2025-06-02 | | 公開日 | 2025-09-10 | | 最終更新日 | 2025-09-17 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | High-throughput evaluation of novel WRN inhibitors.
Slas Discov, 35, 2025
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9UUU
 | | Cryo-EM structure of Na+-translocating NADH-ubiquinone oxidoreductase from Vibrio cholerae reduced by NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Ishikawa-Fukuda, M, Kishikawa, J, Kato, T, Murai, M. | | 登録日 | 2025-05-08 | | 公開日 | 2025-06-25 | | 実験手法 | ELECTRON MICROSCOPY (3.17 Å) | | 主引用文献 | The Na + -pumping mechanism driven by redox reactions in the NADH-quinone oxidoreductase from Vibrio cholerae relies on dynamic conformational changes.
Biorxiv, 2025
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9QKV
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9YG7
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9UL1
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9OWD
 | | Human WRN helicase in complex with allosteric ligand Compound 9 | | 分子名称: | 1,2-ETHANEDIOL, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, DIMETHYL SULFOXIDE, ... | | 著者 | Palte, R.L, Koglin, M, Maskos, K, Tauchert, M.J. | | 登録日 | 2025-06-02 | | 公開日 | 2025-09-10 | | 最終更新日 | 2025-09-17 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | High-throughput evaluation of novel WRN inhibitors.
Slas Discov, 35, 2025
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9RWD
 | | High-resolution structure of human SHMT2 with covalently bound PLP (internal aldimine) | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Warlich, A, Ruszkowski, M, Nawrot, D. | | 登録日 | 2025-07-09 | | 公開日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | High-resolution structure of human SHMT2 with covalently bound PLP (internal aldimine)
To Be Published
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9QEU
 | | Structure of CHIP E3 ubiquitin ligase TPR domain in complex with compound 1 | | 分子名称: | E3 ubiquitin-protein ligase CHIP, SULFATE ION, ~{N}-[(1~{R},2~{R})-2-[[(1~{S})-1-(2-methoxyphenyl)-3-(methylamino)-3-oxidanylidene-propyl]carbamoyl]cyclopentyl]-4,5,6,7-tetrahydro-1~{H}-indazole-3-carboxamide | | 著者 | Breed, J. | | 登録日 | 2025-03-11 | | 公開日 | 2025-08-27 | | 実験手法 | X-RAY DIFFRACTION (1.353 Å) | | 主引用文献 | Discovery of Small-Molecule Ligands for the E3 Ligase STUB1/CHIP from a DNA-Encoded Library Screen.
Acs Med.Chem.Lett., 16, 2025
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9U7Q
 | | Chitinase ChiA mutant - C61A/C79A | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, chitinase | | 著者 | Qipeng, C, Jinghan, Z. | | 登録日 | 2025-03-25 | | 公開日 | 2025-07-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Chitinase ChiA mutant - C61A/C79A
To Be Published
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9UDF
 | | Cryo-EM structure of Na+-translocating NADH-ubiquinone oxidoreductase NqrB-G141A mutant from Vibrio cholerae reduced by NADH, with bound korormicin A, shifted state | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ... | | 著者 | Ishikawa-Fukuda, M, Kishikawa, J, Kato, T, Murai, M. | | 登録日 | 2025-04-06 | | 公開日 | 2025-06-25 | | 実験手法 | ELECTRON MICROSCOPY (2.93 Å) | | 主引用文献 | The Na + -pumping mechanism driven by redox reactions in the NADH-quinone oxidoreductase from Vibrio cholerae relies on dynamic conformational changes.
Biorxiv, 2025
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9QYZ
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9QJE
 | | USP7 Covalently Bound to N-(6-Fluoro-3-nitropyridin-2-yl)-5-(1-methyl-1H-pyrazol-4-yl)isoquinolin-3-amine (GCL36, 7a) with Partial Occupancy | | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Stahlecker, J, Ernst, L.N, Gehringer, M, Stehle, T, Boeckler, F.M. | | 登録日 | 2025-03-19 | | 公開日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Design, Synthesis, and Molecular Evaluation of S N Ar-Reactive N-(6-Fluoro-3-Nitropyridin-2-yl)Isoquinolin-3-Amines as Covalent USP7 Inhibitors Reveals an Unconventional Binding Mode.
Arch Pharm, 358, 2025
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8CXF
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8CMB
 | | Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ... | | 著者 | MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J. | | 登録日 | 2023-02-19 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
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8CNM
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8D8S
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8DQO
 | | Crystal structure of Arabidopsis thaliana COSY | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Coumarin Synthase | | 著者 | Kim, C.Y, Mitchell, A.J, Gutierrez, M, Weng, J.K. | | 登録日 | 2022-07-19 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Emergence of a proton exchange-based isomerization and lactonization mechanism in the plant coumarin synthase COSY.
Nat Commun, 14, 2023
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8RPE
 | | Crystal structure of the SMA:VH1 Complex at 1.2 A resolution | | 分子名称: | 1,2-ETHANEDIOL, SMA, VH1 | | 著者 | Maerivoet, A, Crabbe, T, Antonyuk, S.V, Madine, J. | | 登録日 | 2024-01-15 | | 公開日 | 2025-01-29 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Stabilisation of amyloidogenic light chains by displacing native dimer binding interface with the variable heavy domain have potential for therapeutics development
To be published
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6HU6
 | | Structure of ARF1 RNA | | 分子名称: | AMMONIUM ION, RNA (19-MER), RNA (5'-R(*CP*UP*GP*GP*UP*AP*CP*UP*C)-3'), ... | | 著者 | Emmerich, C, Lazzaretti, D, Bandholz-Cajamarca, L, Bono, F. | | 登録日 | 2018-10-05 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | | 主引用文献 | The crystal structure of Staufen1 in complex with a physiological RNA sheds light on substrate selectivity.
Life Sci Alliance, 1, 2018
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6WZS
 | | Fusibacterium ulcerans ZTP riboswitch bound to m-1-pyridinyl AICA | | 分子名称: | 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide, Fusibacterium ulcerans ZTP riboswitch, MAGNESIUM ION, ... | | 著者 | Pichling, P, Jones, C.P, Ferre-D'Amare, A.R, Tran, B. | | 登録日 | 2020-05-14 | | 公開日 | 2021-03-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.23 Å) | | 主引用文献 | Parallel Discovery Strategies Provide a Basis for Riboswitch Ligand Design.
Cell Chem Biol, 27, 2020
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8DV0
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9M79
 | | Focused asymmetric unit of UCC118 Rool RNA at 1.96-angstrom resolution | | 分子名称: | UCC118 Rool RNA monomer | | 著者 | Zhang, S, Yi, R, An, L, Li, S, Zhang, K. | | 登録日 | 2025-03-10 | | 公開日 | 2025-09-10 | | 実験手法 | ELECTRON MICROSCOPY (1.96 Å) | | 主引用文献 | Structural insights into higher-order natural RNA-only multimers.
Nat.Struct.Mol.Biol., 2025
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140D
 | | SOLUTION STRUCTURE OF A CONSERVED DNA SEQUENCE FROM THE HIV-1 GENOME: RESTRAINED MOLECULAR DYNAMICS SIMULATION WITH DISTANCE AND TORSION ANGLE RESTRAINTS DERIVED FROM TWO-DIMENSIONAL NMR SPECTRA | | 分子名称: | DNA (5'-D(*AP*GP*CP*TP*TP*GP*CP*CP*TP*TP*GP*AP*G)-3'), DNA (5'-D(*CP*TP*CP*AP*AP*GP*GP*CP*AP*AP*GP*CP*T)-3') | | 著者 | Mujeeb, A, Kerwin, S.M, Kenyon, G.L, James, T.L. | | 登録日 | 1993-09-24 | | 公開日 | 1994-04-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of a conserved DNA sequence from the HIV-1 genome: restrained molecular dynamics simulation with distance and torsion angle restraints derived from two-dimensional NMR spectra.
Biochemistry, 32, 1993
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141D
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