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
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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
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5KN8
| MutY N-terminal domain in complex with undamaged DNA | 分子名称: | Adenine DNA glycosylase, CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*CP*AP*GP*GP*AP*T)-3'), ... | 著者 | Wang, L, Chakravarthy, S, Verdine, G.L. | 登録日 | 2016-06-27 | 公開日 | 2017-02-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structural Basis for the Lesion-scanning Mechanism of the MutY DNA Glycosylase. J. Biol. Chem., 292, 2017
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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
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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
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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
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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
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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
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5LAF
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5KJ9
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5KKJ
| 2.0-Angstrom In situ Mylar structure of hen egg-white lysozyme (HEWL) at 293 K | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, CHLORIDE ION, ... | 著者 | Broecker, J, Ernst, O.P. | 登録日 | 2016-06-21 | 公開日 | 2017-02-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | A Versatile System for High-Throughput In Situ X-ray Screening and Data Collection of Soluble and Membrane-Protein Crystals. Cryst Growth Des, 16, 2016
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7XWU
| Ketoreductase CpKR mutant - M1 | 分子名称: | DI(HYDROXYETHYL)ETHER, Epimerase domain-containing protein, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Chen, C, Zheng, Y.C, Pan, J, Xu, J.H. | 登録日 | 2022-05-27 | 公開日 | 2023-05-31 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Computational Redesign of a robust Ketoreductase for Asymmetric Synthesis of Enantiopure diltiazem precursor. To Be Published
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2Z38
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5KWF
| Joint X-ray Neutron Structure of Cholesterol Oxidase | 分子名称: | Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Golden, E, Vrielink, A, Meilleur, F, Blakeley, M. | 登録日 | 2016-07-18 | 公開日 | 2017-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | NEUTRON DIFFRACTION (1.499 Å), X-RAY DIFFRACTION | 主引用文献 | An extended N-H bond, driven by a conserved second-order interaction, orients the flavin N5 orbital in cholesterol oxidase. Sci Rep, 7, 2017
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2Z37
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5KY1
| Hen Egg White Lysozyme at 278K, Data set 10 | 分子名称: | Lysozyme C, SODIUM ION | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | 登録日 | 2016-07-20 | 公開日 | 2016-09-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5KMK
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2C5G
| Torpedo californica acetylcholinesterase in complex with 20mM thiocholine | 分子名称: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | 著者 | Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M. | 登録日 | 2005-10-27 | 公開日 | 2006-06-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase. Embo J., 25, 2006
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2CMF
| Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (5 carbon linker) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE | 著者 | Rydberg, E.H, Brumshtein, B, Greenblatt, H.M, Wong, D.M, Pang, Y.P, Silman, I, Sussman, J.L. | 登録日 | 2006-05-08 | 公開日 | 2006-09-04 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge. J. Med. Chem., 49, 2006
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2VJB
| Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset D at 100K | 分子名称: | (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | 著者 | Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M. | 登録日 | 2007-12-09 | 公開日 | 2008-07-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography. Proc.Natl.Acad.Sci.USA, 105, 2008
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2VA9
| Structure of native TcAChE after a 9 seconds annealing to room temperature during the first 5 seconds of which laser irradiation at 266nm took place | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | 著者 | Colletier, J.-P, Sanson, B, Royant, A, Specht, A, Nachon, F, Masson, P, Zaccai, G, Sussman, J.L, Goeldner, M, Silman, I, Bourgeois, D, Weik, M. | 登録日 | 2007-08-30 | 公開日 | 2007-11-20 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Use of a 'Caged' Analog to Study Traffic of Choline within Acetylcholinesterase by Kinetic Crystallography Acta Crystallogr.,Sect.D, 63, 2007
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2VT6
| Native Torpedo californica acetylcholinesterase collected with a cumulated dose of 9400000 Gy | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ... | 著者 | Colletier, J.P, Bourgeois, D, Sanson, B, Fournier, D, Sussman, J.L, Silman, I, Weik, M. | 登録日 | 2008-05-09 | 公開日 | 2008-07-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography. Proc.Natl.Acad.Sci.USA, 105, 2008
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3B9S
| Macrophage Migration Inhibitory Factor (MIF) complexed with Inhibitor, 4-IPP. | 分子名称: | 4-phenylpyrimidine, GLYCEROL, Macrophage Migration Inhibitory Factor, ... | 著者 | Zierow, S, Crichlow, G, Lolis, E. | 登録日 | 2007-11-06 | 公開日 | 2008-09-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A novel, macrophage migration inhibitory factor suicide substrate inhibits motility and growth of lung cancer cells. Cancer Res., 68, 2008
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2WG1
| TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | 著者 | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | 登録日 | 2009-04-15 | 公開日 | 2009-08-11 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime. J.Med.Chem., 52, 2009
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2VQ6
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