PDB: 222415 件ウェブページステータス検索Chemie searchBIRD

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7YJF	Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, HYDROXYAMINE, P450 BM3 heme domain mutant F87A/T268P/V78I, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-20 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.515 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
7YDC	Crystal structure of the P450 BM3 heme domain mutant F87L/T268V/V78C in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-04 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.609 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
7YDE	Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-04 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.789 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
7YFT	Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine, indane and hydroxylamine 分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, 2,3-dihydro-1H-indene, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-09 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
7YJE	Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and acetate ion 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, ACETATE ION, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-20 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
7YJG	Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-20 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.684 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
7YJH	Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-20 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.792 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
9EMC	RUVBL1/2 in complex with ATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RuvB-like 1, ... 著者 Lopez-Perrote, A, Llorca, O, Garcia-Martin, C. 登録日 2024-03-11 公開日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.26 Å) 主引用文献 Mechanism of allosteric inhibition of RUVBL1-RUVBL2 by the small-molecule CB-6644 Cell Rep Phys Sci, 2024
7LKI	The crystal structure of Epitope III of HCV envelop protein E2 in complex with antibody 1H8 分子名称: Epitope III peptide GLY-ALA-PRO-THR-TYR-SER-TRP-GLY, antibody 1H8 heavy chain, antibody 1H8 light chain 著者 Deng, L, Zhang, P. 登録日 2021-02-02 公開日 2021-08-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A conserved epitope III on hepatitis C virus E2 protein has alternate conformations facilitating cell binding or virus neutralization. Proc.Natl.Acad.Sci.USA, 118, 2021
9EU6	The FK1 domain of FKBP51 in complex with SAFit-analog 23j 分子名称: (1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 著者 Meyners, C, Buffa, V, Hausch, F. 登録日 2024-03-27 公開日 2024-06-12 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
7LF8	Fab 6D12 bound to ApoL2 NTD 分子名称: Apolipoprotein L2, Fab 6D12 heavy chain, Fab 6D12 light chain, ... 著者 Ultsch, M, Kirchhofer, D. 登録日 2021-01-15 公開日 2021-08-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif. Commun Biol, 4, 2021
9EX1	X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure B) 分子名称: CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex 著者 Tito, G, Merlino, A, Ferraro, G. 登録日 2024-04-05 公開日 2024-06-26 最終更新日 2024-07-03 実験手法 X-RAY DIFFRACTION (1.785 Å) 主引用文献 Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 2024
7LFD	Fab 7D6 bound to ApoL1 BH3 like peptide 分子名称: AMMONIUM ION, Apolipoprotein L1 BH3 like peptide, CITRATE ANION, ... 著者 Ultsch, M, Kirchhofer, D. 登録日 2021-01-16 公開日 2021-08-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.157 Å) 主引用文献 Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif. Commun Biol, 4, 2021
1MDM	INHIBITED FRAGMENT OF ETS-1 AND PAIRED DOMAIN OF PAX5 BOUND TO DNA 分子名称: C-ETS-1 PROTEIN, PAIRED BOX PROTEIN PAX-5, PAX5/ETS BINDING SITE ON THE MB-1 PROMOTER 著者 Garvie, C.W, Pufall, M.A, Graves, B.J, Wolberger, C. 登録日 2002-08-07 公開日 2002-12-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 STRUCTURAL ANALYSIS OF THE AUTOINHIBITION OF ETS-1 AND ITS ROLE IN PROTEIN PARTNERSHIPS J.Biol.Chem., 277, 2002
8YB7	SARS-CoV-2 DMV nsp3-4 pore complex (consensus-pore, C3 symmetry) 分子名称: Non-structural protein 4, Papain-like protease nsp3 著者 Huang, Y.X, Zhong, L.J, Zhang, W.X, Ni, T. 登録日 2024-02-12 公開日 2024-06-19 実験手法 ELECTRON MICROSCOPY (4.6 Å) 主引用文献 Molecular Architecture of Coronavirus Double Membrane Vesicle Pore Complex To Be Published
9FBX	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one 分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one, ... 著者 Chung, C. 登録日 2024-05-14 公開日 2024-06-26 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.602 Å) 主引用文献 Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787. J.Med.Chem., 67, 2024
8YM2	Crystal structure of AIDA-1 PTB domain in complex with SynGAP NPxF motif 分子名称: Ankyrin repeat and sterile alpha motif domain-containing protein 1B, Ras/Rap GTPase-activating protein SynGAP 著者 Wang, X, Wang, Y, Cai, Q, Zhang, M. 登録日 2024-03-08 公開日 2024-05-29 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 AIDA-1/ANKS1B Binds to the SynGAP Family RasGAPs with High Affinity and Specificity. J.Mol.Biol., 436, 2024
8ZAV	alcohol dehydrogenases KpADH mutant - S9Y/F161K 分子名称: 1,2-ETHANEDIOL, NAD-dependent epimerase/dehydratase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Zhang, L, Ni, Y, Xu, G.C. 登録日 2024-04-25 公開日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Engineering alcohol dehydrogenases KpADH for enhanced organic-solvent tolerance and its molecular mechanisms To Be Published
9BV0	NMR structure of the Z0 CCHC zinc-finger of transcription repressor Bcl11A 分子名称: B-cell lymphoma/leukemia 11A, ZINC ION 著者 Alexandrescu, A.T. 登録日 2024-05-18 公開日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 NMR structure of the Z0 CCHC zinc-finger of transcription repressor Bcl11A To Be Published
9ERN	CTE type II tau filament from vacuolar tauopathy 分子名称: Microtubule-associated protein tau 著者 Qi, C, Scheres, H.W.S, Goedert, M. 登録日 2024-03-24 公開日 2024-05-29 実験手法 ELECTRON MICROSCOPY (2.5 Å) 主引用文献 Tau filaments with the chronic traumatic encephalopathy fold in a case of vacuolar tauopathy with VCP mutation D395G. Acta Neuropathol, 147, 2024
7LFA	Fab 3B6 bound to ApoL1 NTD 分子名称: Apolipoprotein L1, CHLORIDE ION, Fab 3B6 heavy chain, ... 著者 Ultsch, M, Kirchhofer, D. 登録日 2021-01-15 公開日 2021-08-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.857 Å) 主引用文献 Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif. Commun Biol, 4, 2021
1MEC	CONFORMATIONAL VARIABILITY OF A PICORNAVIRUS CAPSID: PH-DEPENDENT STRUCTURAL CHANGES OF MENGO VIRUS RELATED TO ITS HOST RECEPTOR ATTACHMENT SITE AND DISASSEMBLY 分子名称: MENGO VIRUS COAT PROTEIN (SUBUNIT VP1), MENGO VIRUS COAT PROTEIN (SUBUNIT VP2), PHOSPHATE ION 著者 Rossmann, M.G. 登録日 1992-01-17 公開日 1994-01-31 最終更新日 2023-04-19 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Conformational variability of a picornavirus capsid: pH-dependent structural changes of Mengo virus related to its host receptor attachment site and disassembly. Virology, 175, 1990
7M1C	Crystal structure of the HCMV pentamer-specific antibody 1-32 分子名称: 1-32 Fab Heavy Chain, 1-32 Fab Light Chain 著者 Wrapp, D, McLellan, J.S. 登録日 2021-03-12 公開日 2021-08-11 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural basis for HCMV Pentamer recognition by neuropilin 2 and neutralizing antibodies. Sci Adv, 8, 2022
8ZNB	Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus incorporating NADPH in the steady stage of reaction 分子名称: Glutamate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Wakabayashi, T, Nakasako, M. 登録日 2024-05-26 公開日 2024-06-12 実験手法 ELECTRON MICROSCOPY (2.53 Å) 主引用文献 Mechanism for drastic reduction in catalytic activity of Trp89Phe-mutated glutamate dehydrogenase revealed by crystal structure and cryoEM-sampling of metastable conformation in action To Be Published
8YXO	Structure of Phosphoprotein tetramer from mumps virus 分子名称: Phosphoprotein 著者 Li, T.H, Shen, Q.T. 登録日 2024-04-02 公開日 2024-06-05 実験手法 ELECTRON MICROSCOPY (3.49 Å) 主引用文献 Structures of the mumps virus polymerase complex via cryo-electron microscopy. Nat Commun, 15, 2024

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