8PXH
 
 | | Structure of TauA from E. coli, solved at wavelength 2.375 A | | 分子名称: | 2-AMINOETHANESULFONIC ACID, IODIDE ION, Taurine ABC transporter substrate-binding protein | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A. | | 登録日 | 2023-07-23 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PYZ
 | | Structure of Ompk36GD from Klebsiella pneumonia, solved at wavelength 4.13 A | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, OmpK36 | | 著者 | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Kwong, H, Beis, K, Wagner, A. | | 登録日 | 2023-07-26 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PYV
 | | Structure of Human PS-1 GSH-analog complex, solved at wavelength 2.755 A | | 分子名称: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, Prostaglandin E synthase | | 著者 | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G. | | 登録日 | 2023-07-26 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PXC
 | | Structure of Fap1, a domain of the accessory Sec-dependent serine-rich glycoprotein adhesin from Streptococcus oralis, solved at wavelength 3.06 A | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Fap1 | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Owen, C.D, Walsh, M.A, Wagner, A. | | 登録日 | 2023-07-23 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.973 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PZ5
 | | Structure of ThcOx, solved at wavelength 3.099 A | | 分子名称: | FLAVIN MONONUCLEOTIDE, SagB-type dehydrogenase domain protein | | 著者 | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A. | | 登録日 | 2023-07-27 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PX1
 | | Structure of salmonella effector SseK3, solved at wavelength 2.75 A | | 分子名称: | Non-LEE encoded effector protein NleB | | 著者 | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C.M, Esposito, D, Rittinger, K, Wagner, A. | | 登録日 | 2023-07-22 | | 公開日 | 2023-10-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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5E95
 | | Crystal Structure of Mb(NS1)/H-Ras Complex | | 分子名称: | GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Eguchi, R.R, Sha, F, Gupta, A, Koide, A, Koide, S. | | 登録日 | 2015-10-14 | | 公開日 | 2016-11-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.402 Å) | | 主引用文献 | Inhibition of RAS function through targeting an allosteric regulatory site.
Nat. Chem. Biol., 13, 2017
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1XCH
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6XKD
 | | Structure of ligand-bound mouse cGAMP hydrolase ENPP1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Fernandez, D, Li, L. | | 登録日 | 2020-06-26 | | 公開日 | 2021-06-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP.
Cell Chem Biol, 27, 2020
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3S2O
 | | Fragment based discovery and optimisation of bace-1 inhibitors | | 分子名称: | (3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]pentanamide, Beta-secretase 1, IODIDE ION | | 著者 | Madden, J, Godemann, R, Smith, M.A, Hallett, D, Barker, J, Kraemer, J. | | 登録日 | 2011-05-17 | | 公開日 | 2011-06-01 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3MSJ
 | | Structure of bace (beta secretase) in complex with inhibitor | | 分子名称: | 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol, BETA-SECRETASE 1, GLYCEROL | | 著者 | Madden, J, Kramer, J, Smith, M.A, Barker, J, Godemann, R. | | 登録日 | 2010-04-29 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3MSK
 | | Fragment Based Discovery and Optimisation of BACE-1 Inhibitors | | 分子名称: | 4-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-cyclohexyl-N-methylbutanamide, Beta-secretase 1, GLYCEROL, ... | | 著者 | Smith, M.A, Madden, J.M, Barker, J, Godemann, R, Kraemer, J, Hallett, D. | | 登録日 | 2010-04-29 | | 公開日 | 2010-07-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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5T8O
 | | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3 | | 分子名称: | 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | | 著者 | Smith, M.A, McEwan, P, Hymowitz, S.G. | | 登録日 | 2016-09-08 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
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5T8P
 | | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2 | | 分子名称: | 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | | 著者 | Smith, M.A, McEwan, P.A. | | 登録日 | 2016-09-08 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
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8F5W
 | | Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine and NADPH Quasi-Anaerobically | | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G. | | 登録日 | 2022-11-15 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
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8F6N
 | | Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Thymine Quasi-Anaerobically | | 分子名称: | Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G. | | 登録日 | 2022-11-16 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
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8F61
 | | Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine Quasi-Anaerobically | | 分子名称: | (5S)-5-methyl-1,3-diazinane-2,4-dione, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], ... | | 著者 | Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G. | | 登録日 | 2022-11-15 | | 公開日 | 2023-02-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
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1HSY
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1IRV
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1IRW
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5UQ9
 | | Crystal structure of 6-phosphogluconate dehydrogenase with ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate | | 分子名称: | 6-phosphogluconate dehydrogenase, decarboxylating, [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate | | 著者 | Leonard, P.G. | | 登録日 | 2017-02-07 | | 公開日 | 2018-08-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Functional Genomics Reveals Synthetic Lethality between Phosphogluconate Dehydrogenase and Oxidative Phosphorylation.
Cell Rep, 26, 2019
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3E01
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3DYA
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2BPA
 | | ATOMIC STRUCTURE OF SINGLE-STRANDED DNA BACTERIOPHAGE PHIX174 AND ITS FUNCTIONAL IMPLICATIONS | | 分子名称: | DNA (5'-D(*AP*AP*AP*AP*C)-3'), PROTEIN (SUBUNIT OF BACTERIOPHAGE PHIX174) | | 著者 | McKenna, R, Xia, D, Willingmann, P, Ilag, L.L, Krishnaswamy, S, Rossmann, M.G, Olson, N.H, Baker, T.S, Incardona, N.L. | | 登録日 | 1991-12-03 | | 公開日 | 1991-12-03 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Atomic structure of single-stranded DNA bacteriophage phi X174 and its functional implications.
Nature, 355, 1992
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1NZ4
 | | The horse heart myoglobin variant K45E/K63E complexed with Cadmium | | 分子名称: | CADMIUM ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hunter, C.L, Maurus, R, Mauk, M.R, Lee, H, Raven, E.L, Tong, H, Nguyen, N, Smith, S, Brayer, G.D, Mauk, A.G. | | 登録日 | 2003-02-15 | | 公開日 | 2003-04-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Introduction and characterization of a functionally linked metal ion binding site at
the exposed heme edge of myoglobin
Proc.Natl.Acad.Sci.USA, 100, 2003
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