PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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6QL9	Structure of Fatty acid synthase complex from Saccharomyces cerevisiae at 2.9 Angstrom 分子名称: 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, ACETATE ION, ... 著者 Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A. 登録日 2019-01-31 公開日 2020-03-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.82 Å) 主引用文献 Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase. Cell, 180, 2020
5ESH	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73W mutant in complex with itraconazole 分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. 登録日 2015-11-16 公開日 2016-11-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
5ESJ	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G464S mutant complexed with fluconazole 分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. 登録日 2015-11-16 公開日 2016-11-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
6QIL	The complex structure of hsRosR-S1 (VNG0258H/RosR-S1) 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (28-MER), DNA binding protein, ... 著者 Shaanan, B, Kutnowski, N. 登録日 2019-01-21 公開日 2019-07-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Specificity of protein-DNA interactions in hypersaline environment: structural studies on complexes of Halobacterium salinarum oxidative stress-dependent protein hsRosR. Nucleic Acids Res., 47, 2019
7K26	Crystal structure of Human H-chain Ferritin variant infused with Sodium Acrylate 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FE (III) ION, Ferritin heavy chain, ... 著者 Bailey, J.B, Zhang, L. 登録日 2020-09-08 公開日 2020-11-11 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Anisotropic Dynamics and Mechanics of Macromolecular Crystals Containing Lattice-Patterned Polymer Networks. J.Am.Chem.Soc., 142, 2020
5EO4	Structural and biochemical characterization of the hypothetical protein SAV2348 from Staphylococcus aureus. 分子名称: thioesterase 著者 Khandokar, Y.B, Srivastava, P, Forwood, J.K. 登録日 2015-11-10 公開日 2015-11-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and biochemical characterization of the hypothetical protein SAV2348 from Staphylococcus aureus. To Be Published
8AIZ	Mpro of SARS-CoV-2 in complex with the RK-68 inhibitor 分子名称: (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide, CHLORIDE ION, Replicase polyprotein 1ab 著者 El Kilani, H, Hilgenfeld, R. 登録日 2022-07-27 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.992 Å) 主引用文献 Main Protease SARS-CoV-2 in complex with the inhibitor RK-68 To Be Published
6FUB	Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikE with the HMA domain of Pikm-1 from rice (Oryza sativa) 分子名称: AVR-Pik protein, NBS-LRR class disease resistance protein 著者 Franceschetti, M, De la Concepcion, J.C, Banfield, M.J. 登録日 2018-02-26 公開日 2018-06-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Polymorphic residues in rice NLRs expand binding and response to effectors of the blast pathogen. Nat Plants, 4, 2018
7K4Q	Crystal structure of Kemp Eliminase HG3 in complex with the transition state analog 6-nitrobenzotriazole 分子名称: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, SULFATE ION 著者 Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. 登録日 2020-09-16 公開日 2020-12-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
5ESD	Crystal Structure of M. tuberculosis MenD bound to ThDP and Mn2+ 分子名称: 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, MANGANESE (II) ION, THIAMINE DIPHOSPHATE 著者 Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N. 登録日 2015-11-16 公開日 2016-06-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms. Structure, 24, 2016
8ANF	Small molecule stabilizer for ERalpha and 14-3-3 (1074359) 分子名称: 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide, Estrogen receptor, ... 著者 Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. 登録日 2022-08-05 公開日 2023-09-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
7K4V	Crystal structure of Kemp Eliminase HG3.17 分子名称: Endo-1,4-beta-xylanase, TETRAETHYLENE GLYCOL 著者 Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D. 登録日 2020-09-16 公開日 2020-12-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 How directed evolution reshapes the energy landscape in an enzyme to boost catalysis. Science, 370, 2020
6QJG	Crystal Structure of the third PDZ domain of PSD-95 protein D332P mutant: space group C121, structure 2 分子名称: Disks large homolog 4 著者 Camara-Artigas, A. 登録日 2019-01-24 公開日 2019-04-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.003 Å) 主引用文献 Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95. Acta Crystallogr D Struct Biol, 75, 2019
7K5H	1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor KM-5-66 分子名称: 4-{[3-(3-chloro-5-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION, ... 著者 Lovell, S, Battaile, K.P, Soldano, A, Punchi-Hewage, A, Meraz, K, Annor-Gyamfi, J.K, Yao, H, Bunce, R.A, Rivera, M. 登録日 2020-09-16 公開日 2020-12-16 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Small Molecule Inhibitors of the Bacterioferritin (BfrB)-Ferredoxin (Bfd) Complex Kill Biofilm-Embedded Pseudomonas aeruginosa Cells. Acs Infect Dis., 7, 2021
5ESK	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G464S mutant complexed with itraconazole 分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. 登録日 2015-11-16 公開日 2016-11-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 62, 2018
7K6I	Carbonic Anhydrase II complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide 分子名称: 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Andring, J.T, Singh, S, McKenna, R. 登録日 2020-09-20 公開日 2020-12-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.406 Å) 主引用文献 Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
6BZG	Structure of S. cerevisiae Zip2:Spo16 complex, P212121 form 分子名称: HEXAETHYLENE GLYCOL, Protein ZIP2, SULFATE ION, ... 著者 Arora, K, Corbett, K.D. 登録日 2017-12-23 公開日 2018-02-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 The conserved XPF:ERCC1-like Zip2:Spo16 complex controls meiotic crossover formation through structure-specific DNA binding. Nucleic Acids Res., 47, 2019
5UX0	X-ray crystal structure of Marinitoga piezophila Argonaute in complex with 5' OH guide RNA and target DNA 分子名称: Argonaute protein, DNA (5'-D(P*AP*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*CP*C)-3'), RNA (5'-R(*G*GP*UP*AP*CP*AP*AP*CP*CP*UP*AP*CP*UP*AP*CP*CP*UP*CP*AP*U)-3') 著者 Doxzen, K.W, Doudna, J.A. 登録日 2017-02-21 公開日 2017-05-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.197 Å) 主引用文献 DNA recognition by an RNA-guided bacterial Argonaute. PLoS ONE, 12, 2017
6QJR	Crystal structure of a DNA dodecamer containing a tetramethylpyrrolinoxyl (nitroxide) spin label 分子名称: DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*(5NO)P*GP*CP*G)-3') 著者 Hardwick, J.S, Haugland, M.M, Ptchelkine, D, Brown, T, Anderson, E.E. 登録日 2019-01-24 公開日 2020-02-12 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 2'-Alkynyl spin-labelling is a minimally perturbing tool for DNA structural analysis. Nucleic Acids Res., 48, 2020
8AQC	Small molecular stabilizer for ERalpha and 14-3-3 (1080294) 分子名称: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ... 著者 Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. 登録日 2022-08-12 公開日 2023-09-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
5V2X	Ethylene forming enzyme in complex with manganese and 2-oxoglutarate 分子名称: 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, MANGANESE (II) ION 著者 Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. 登録日 2017-03-06 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.847 Å) 主引用文献 Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist. J. Am. Chem. Soc., 139, 2017
5ESL	Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with itraconazole 分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. 登録日 2015-11-16 公開日 2016-11-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structures of lanosterol 14-alpha demethylase mutants. To Be Published
8AQE	Small molecular stabilizer for ERalpha and 14-3-3 (1080295) 分子名称: 14-3-3 protein sigma, 2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide, Estrogen receptor, ... 著者 Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. 登録日 2022-08-12 公開日 2023-09-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
8RNH	Crystal structure of HLA B*18:01 in complex with EEIEITTHF, an 9-mer epitope from Influenza A 分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... 著者 Murdolo, L.D, Maddumaage, J, Gras, S. 登録日 2024-01-10 公開日 2024-05-08 最終更新日 2024-07-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes. Clin Transl Immunology, 13, 2024
5V3D	Crystal structure of fosfomycin resistance protein from Klebsiella pneumoniae with bound fosfomycin 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FOSFOMYCIN, ... 著者 Klontz, E, Guenther, S, Silverstein, Z, Sundberg, E. 登録日 2017-03-07 公開日 2017-08-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.539 Å) 主引用文献 Structure and Dynamics of FosA-Mediated Fosfomycin Resistance in Klebsiella pneumoniae and Escherichia coli. Antimicrob. Agents Chemother., 61, 2017

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