PDB: 245663 件ウェブページステータス検索Chemie searchBIRD

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8PO3	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R] 分子名称: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor 著者 Hargreaves, D. 登録日 2023-07-03 公開日 2024-06-05 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
8UKI	Crystal structure of 04_A06 Fab 分子名称: 04_A06 Fab Heavy Chain, 04_A06 Fab Light Chain 著者 DeLaitsch, A.T, Gristick, H.B, Bjorkman, P.J. 登録日 2023-10-13 公開日 2025-04-16 最終更新日 2025-10-29 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Profiling of HIV-1 elite neutralizer cohort reveals a CD4bs bnAb for HIV-1 prevention and therapy. Nat.Immunol., 2025
8G6Z	JAK2 crystal structure in complex with Compound 13 分子名称: (3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 著者 Miller, S.T, Ellis, D.A. 登録日 2023-02-16 公開日 2023-06-21 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility. J.Med.Chem., 66, 2023
8V1V	Human DNA Ligase I F872L bound to adenylated nicked DNA 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ... 著者 Tumbale, P.P, Williams, R.S. 登録日 2023-11-21 公開日 2025-07-02 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Human DNA Ligase I F872L bound to adenylated nicked DNA To Be Published
8PCA	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 50 ms 分子名称: Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-07-17 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PCD	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 150 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PCE	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 250 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
7Q6Z	Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to IMP-1575 分子名称: 2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone, CHOLESTEROL, Megabody 177, ... 著者 Coupland, C, Carrique, L, Siebold, C. 登録日 2021-11-09 公開日 2022-01-26 最終更新日 2024-11-20 実験手法 ELECTRON MICROSCOPY (3.59 Å) 主引用文献 Structure, mechanism, and inhibition of Hedgehog acyltransferase. Mol.Cell, 81, 2021
9LTK	Crystal structur of Lpg1618(R215F) from Legionella pneumophila 分子名称: Beta-lactamase, GLYCEROL, SULFATE ION 著者 Liu, T, Gao, J, Ge, H. 登録日 2025-02-06 公開日 2025-06-25 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and molecular characterization of AmpS, a class D beta-lactamase from Legionella pneumophila. Int.J.Biol.Macromol., 312, 2025
9B8D	Structure of Legionella pneumophila Ceg10 分子名称: 1,2-ETHANEDIOL, Ceg10, PHOSPHATE ION 著者 Tomchick, D.R, Heisler, D.B, Alto, N.M. 登録日 2024-03-29 公開日 2024-04-10 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Exploiting bacterial effector proteins to uncover evolutionarily conserved antiviral host machinery. Plos Pathog., 20, 2024
8PCI	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 5000 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PCK	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 0 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
7Q4T	Structure of the Pseudomonas aeruginosa bacteriophage JG004 endolysin Pae87 bound to a peptidoglycan fragment. 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALA-DGL, ... 著者 Seoane-Blanco, M, van Raaij, M.J. 登録日 2021-11-02 公開日 2022-02-23 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 Monomodular Pseudomonas aeruginosa phage JG004 lysozyme (Pae87) contains a bacterial surface-active antimicrobial peptide-like region and a possible substrate-binding subdomain. Acta Crystallogr D Struct Biol, 78, 2022
8PCG	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 2000 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PC9	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 0 ms - native. 分子名称: Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-07-17 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PJF	Human Leukocyte Antigen class II allotype DR1 presenting P11T->R modified influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAR 分子名称: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ... 著者 MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Cole, D.K, Rizkallah, P.J, Godkin, A.J. 登録日 2023-06-23 公開日 2024-06-19 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation. Cell Rep, 43, 2024
7PO6	Xist (m6A)UCG tetraloop RNA bound to the YTH domain of YTHDC1 分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-TRIPHOSPHATE, Isoform 2 of YTH domain-containing protein 1, ... 著者 Jones, A.N, Mourao, A, Sattler, M. 登録日 2021-09-08 公開日 2022-03-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Structural effects of m6A modification of the Xist A-repeat AUCG tetraloop and its recognition by YTHDC1. Nucleic Acids Res., 50, 2022
9B5P	Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - cluster 1 map and model (ATP/Mg) 分子名称: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Kochanczyk, T, Lima, C.D. 登録日 2024-03-22 公開日 2024-06-05 最終更新日 2024-09-25 実験手法 ELECTRON MICROSCOPY (3.08 Å) 主引用文献 Structural basis for transthiolation intermediates in the ubiquitin pathway. Nature, 633, 2024
9B5W	Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - Ub(T) class 1 map and model from cluster 5 (ATP/Mg) 分子名称: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Kochanczyk, T, Lima, C.D. 登録日 2024-03-22 公開日 2024-06-05 最終更新日 2024-09-25 実験手法 ELECTRON MICROSCOPY (3.96 Å) 主引用文献 Structural basis for transthiolation intermediates in the ubiquitin pathway. Nature, 633, 2024
8PCB	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 80 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
7UB8	The crystal structure of the K38A/K137A/K233A/K234A quadruple mutant of E. coli YGGS in complex with PLP 分子名称: 1,4-BUTANEDIOL, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein 著者 Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K. 登録日 2022-03-14 公開日 2022-03-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability. Protein Sci., 31, 2022
9B5V	Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - Ub(T) class 10 map and model from cluster 1 (ATP/Mg) 分子名称: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Kochanczyk, T, Lima, C.D. 登録日 2024-03-22 公開日 2024-06-05 最終更新日 2024-09-25 実験手法 ELECTRON MICROSCOPY (3.94 Å) 主引用文献 Structural basis for transthiolation intermediates in the ubiquitin pathway. Nature, 633, 2024
6WKD	Crystal structure of pentalenene synthase complexed with 12,13-difluorofarnesyl diphosphate 分子名称: (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, GLYCEROL, MAGNESIUM ION, ... 著者 Prem Kumar, R, Matos, J.O, Oprian, D.D. 登録日 2020-04-16 公開日 2020-08-26 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Mechanism Underlying Anti-Markovnikov Addition in the Reaction of Pentalenene Synthase. Biochemistry, 59, 2020
6WLX	PAK4 kinase domain in complex with beta-catenin Ser675 substrate peptide 分子名称: Catenin beta-1, Serine/threonine-protein kinase PAK 4 著者 Chetty, A.K, Ha, B.H, Boggon, T.J. 登録日 2020-04-20 公開日 2020-06-24 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Recognition of physiological phosphorylation sites by p21-activated kinase 4. J.Struct.Biol., 211, 2020
8HSN	Crystal structure of DFA I-forming Inulin Lyase from Streptomyces peucetius subsp. caesius ATCC 27952 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fructotransferase, ... 著者 Cheng, M, Rao, Y.J, Mu, W.M. 登録日 2022-12-20 公開日 2023-12-27 最終更新日 2025-01-08 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Structural Insights into the Catalytic Cycle of Inulin Fructotransferase: From Substrate Anchoring to Product Releasing. J.Agric.Food Chem., 72, 2024

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