PDB: 243531 件ウェブページステータス検索Chemie searchBIRD

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9C7S	Cryo EM structure of SARS-COV-2 (BQ 1.1) RBD in complex with Fab COV2-3891 (local refine) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab COV-3891 heavy chain, Fab COV-3891 light chain, ... 著者 Binshtein, E, Crowe, J.E. 登録日 2024-06-11 公開日 2025-10-08 実験手法 ELECTRON MICROSCOPY (4 Å) 主引用文献 Cryo EM structure of SARS-COV-2 (BQ 1.1) RBD in complex with Fab COV2-3891 (local refine) To Be Published
3G5T	Crystal structure of trans-aconitate 3-methyltransferase from yeast 分子名称: (2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... 著者 Burgie, E.S, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) 登録日 2009-02-05 公開日 2009-03-03 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.119 Å) 主引用文献 Crystal structure of trans-aconitate 3-methyltransferase from yeast To be Published
4DD3	EVAL processed HEWL, carboplatin aqueous paratone 分子名称: 2-methylprop-1-ene, CHLORIDE ION, Lysozyme C 著者 Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. 登録日 2012-01-18 公開日 2012-04-25 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
7LTX	EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor 分子名称: (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... 著者 Beyett, T.S, Eck, M.J. 登録日 2021-02-20 公開日 2022-02-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Quinazolinones as allosteric fourth-generation EGFR inhibitors for the treatment of NSCLC. Bioorg.Med.Chem.Lett., 68, 2022
7A6Z	Structure of P226G BlaC from Mycobacterium tuberculosis 分子名称: 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ... 著者 Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. 登録日 2020-08-27 公開日 2021-10-06 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Conserved proline residues prevent dimerization and aggregation in the beta-lactamase BlaC. Protein Sci., 33, 2024
7Z8E	Crystal structure of the substrate-binding protein YejA from S. meliloti in complex with peptide fragment 分子名称: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, GLY-SER-ASP-VAL-ALA, ... 著者 Morera, S, Vigouroux, V, Travin, D.Y. 登録日 2022-03-17 公開日 2023-02-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Dual-Uptake Mode of the Antibiotic Phazolicin Prevents Resistance Acquisition by Gram-Negative Bacteria. Mbio, 14, 2023
4DEG	Crystal structure of c-Met in complex with triazolopyridazine inhibitor 2 分子名称: 7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amine, Hepatocyte growth factor receptor 著者 Whittington, D.A, Bellon, S.F, Long, A.M. 登録日 2012-01-20 公開日 2012-05-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
4W4O	High-resolution crystal structure of Fc bound to its human receptor Fc-gamma-RI 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... 著者 Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K. 登録日 2014-08-15 公開日 2015-04-29 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI Nat Commun, 6, 2015
5VD5	CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-050, a MK1775 analougue 分子名称: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo [3,4-d]pyrimidin-3-one, CHLORIDE ION, Wee1-like protein kinase 著者 Zhu, J.-Y, Schonbrunn, E. 登録日 2017-04-01 公開日 2018-04-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural basis of Wee family kinase inhibition by small molecules to be published
5I3W	Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene inhibitor 2 分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ... 著者 Whittington, D.A, Long, A.M. 登録日 2016-02-11 公開日 2016-03-30 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
5I46	Factor VIIA in complex with the inhibitor (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione 分子名称: (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... 著者 Wei, A. 登録日 2016-02-11 公開日 2016-06-22 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Atropisomer Control in Macrocyclic Factor VIIa Inhibitors. J.Med.Chem., 59, 2016
2C6F	Structure of human somatic angiontensin-I converting enzyme N domain 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... 著者 Corradi, H.R, Schwager, S.L.U, Nichinda, A, Sturrock, E.D, Acharya, K.R. 登録日 2005-11-09 公開日 2006-11-08 最終更新日 2025-10-01 実験手法 X-RAY DIFFRACTION (3.01 Å) 主引用文献 Crystal Structure of the N Domain of Human Somatic Angiotensin I-Converting Enzyme Provides a Structural Basis for Domain-Specific Inhibitor Design. J.Mol.Biol., 357, 2006
2BXZ	Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... 著者 Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M. 登録日 2005-07-28 公開日 2006-02-06 最終更新日 2025-10-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection? Acta Crystallogr.,Sect.D, 62, 2006
7Z0Q	MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange 分子名称: 1,2-ETHANEDIOL, CLIP peptide, HLA class II histocompatibility antigen, ... 著者 Roske, Y, Abualrous, E.T, Freund, C. 登録日 2022-02-23 公開日 2023-03-08 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange. Nat.Chem.Biol., 19, 2023
9CMI	Cryo-EM structure of human claudin-4 complex with Clostridium perfringens enterotoxin, sFab COP-1, and Nanobody 分子名称: Anti-Fab Nanobody, COP-1 sFab Heavy Chain, COP-1 sFab Light Chain, ... 著者 Vecchio, A.J. 登録日 2024-07-15 公開日 2024-08-07 最終更新日 2024-11-27 実験手法 ELECTRON MICROSCOPY (2.83 Å) 主引用文献 Cryo-EM structures of Clostridium perfringens enterotoxin bound to its human receptor, claudin-4. Structure, 32, 2024
3T0T	Crystal structure of S. aureus Pyruvate Kinase 分子名称: N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide, PHOSPHATE ION, Pyruvate kinase 著者 Worrall, L.J, Vuckovic, M, Strynadka, N.C.J. 登録日 2011-07-20 公開日 2012-06-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Cheminformatics-driven discovery of selective, nanomolar inhibitors for staphylococcal pyruvate kinase. Acs Chem.Biol., 7, 2012
8QUL	Hexameric HIV-1 CA in complex with DDD00100555 分子名称: 3-(BENZYLOXY)PYRIDIN-2-AMINE, Spacer peptide 1 著者 Petit, A.P, Fyfe, P.K. 登録日 2023-10-16 公開日 2024-03-27 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments. Chemmedchem, 19, 2024
4DLE	Ternary Structure of the large Fragment of Taq DNA Polymerase: 4-Fluoroproline Variant 分子名称: 1,2-ETHANEDIOL, 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA polymerase I, ... 著者 Holzberger, B, Obeid, S, Welte, W, Diederichs, K, Marx, A. 登録日 2012-02-06 公開日 2012-11-28 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Structural insights into the potential of 4-fluoroproline to modulate biophysical properties of protein Chem Sci, 3, 2012
3GBH	CRYSTAL STRUCTURE OF A PUTATIVE NAD(P)H:FMN OXIDOREDUCTASE (SE1966) FROM STAPHYLOCOCCUS EPIDERMIDIS ATCC 12228 AT 2.00 A RESOLUTION 分子名称: CALCIUM ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2009-02-19 公開日 2009-03-03 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of putative NAD(P)H:FMN oxidoreductase (NP_765521.1) from Staphylococcus epidermidis ATCC 12228 at 2.00 A resolution To be published
1KJ2	Murine Alloreactive ScFv TCR-Peptide-MHC Class I Molecule Complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Allogeneic H-2Kb MHC Class I Molecule, Beta-2 microglobulin, ... 著者 Reiser, J.-B, Gregoire, C, Darnault, C, Mosser, T, Guimezanes, A, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Mazza, G, Malissen, B, Housset, D. 登録日 2001-12-04 公開日 2002-03-27 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 A T cell receptor CDR3beta loop undergoes conformational changes of unprecedented magnitude upon binding to a peptide/MHC class I complex. Immunity, 16, 2002
5II5	Crystal structure of red abalone VERL repeat 1 at 1.8 A resolution 分子名称: Maltose-binding periplasmic protein,Vitelline envelope sperm lysin receptor, TRIETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose 著者 Sadat Al-Hosseini, H, Raj, I, Nishimura, K, Jovine, L. 登録日 2016-03-01 公開日 2017-06-14 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural Basis of Egg Coat-Sperm Recognition at Fertilization. Cell, 169, 2017
7Z0I	human PEX13 SH3 domain 分子名称: 1,2-ETHANEDIOL, Peroxisomal membrane protein PEX13, ZINC ION 著者 Gaussmann, S, Zak, K, Sattler, M. 登録日 2022-02-23 公開日 2023-03-08 最終更新日 2025-09-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Modulation of peroxisomal import by the PEX13 SH3 domain and a proximal FxxxF binding motif. Nat Commun, 15, 2024
4LV8	Murine IRGa6 bound to Toxoplasma ROP5C, a pseudokinase GDI 分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Reese, M.L, Boothroyd, J.C. 登録日 2013-07-26 公開日 2013-09-25 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 Murine IRGa6 bound to Toxoplasma ROP5C, a pseudokinase GDI To be Published
5VO2	DLK in complex with inhibitor 5-(1-isopropyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine (compound 7) 分子名称: 5-{5-[1-(oxetan-3-yl)piperidin-4-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12 著者 HARRIS, S.F, YIN, J. 登録日 2017-05-01 公開日 2017-10-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.96 Å) 主引用文献 Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease. J. Med. Chem., 60, 2017
5VPC	Transcription factor FosB/JunD bZIP domain in its oxidized form, type-II crystal 分子名称: CHLORIDE ION, Protein fosB, SODIUM ION, ... 著者 Yin, Z, Machius, M.C, Rudenko, G. 登録日 2017-05-04 公開日 2017-09-06 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.498 Å) 主引用文献 Activator Protein-1: redox switch controlling structure and DNA-binding. Nucleic Acids Res., 45, 2017

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