7DF5
 
 | | Human Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | | 分子名称: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, CHLORIDE ION, Galectin-3, ... | | 著者 | Ghosh, K, Kumar, A. | | 登録日 | 2020-11-06 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
J.Med.Chem., 64, 2021
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7B7F
 | | Room temperature X-ray structure of H/D-exchanged PLL lectin in complex with L-fucose | | 分子名称: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-10 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7B7E
 | | Room temperature X-ray structure of perdeuterated PLL lectin | | 分子名称: | PLL lectin | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-10 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7B7C
 | | Room temperature X-ray structure of perdeuterated PLL lectin in complex with L-fucose | | 分子名称: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-10 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7BB4
 | | Crystal structure of perdeuterated PLL lectin in complex with L-fucose | | 分子名称: | GLYCEROL, PLL lectin, alpha-L-fucopyranose, ... | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-16 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7BBI
 | | Joint X-ray/neutron room temperature structure of H/D-exchanged PLL lectin | | 分子名称: | PLL lectin | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-17 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7BBC
 | | Joint X-ray/neutron room temperature structure of perdeuterated PLL lectin in complex with perdeuterated L-fucose | | 分子名称: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-17 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION | | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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6A8Z
 | | Crystal structure of M1 zinc metallopeptidase from Deinococcus radiodurans | | 分子名称: | SODIUM ION, TYROSINE, ZINC ION, ... | | 著者 | Agrawal, R, Kumar, A, Makde, R.D. | | 登録日 | 2018-07-11 | | 公開日 | 2019-07-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.045 Å) | | 主引用文献 | Two-domain aminopeptidase of M1 family: Structural features for substrate binding and gating in absence of C-terminal domain.
J.Struct.Biol., 208, 2019
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5HWI
 | | Crystal structure of selenomethionine labelled gama glutamyl cyclotransferease specific to glutathione from yeast | | 分子名称: | GLYCEROL, Glutathione-specific gamma-glutamylcyclotransferase, SUCCINIC ACID | | 著者 | Kaur, A, Gautam, R, Srivastava, R, Chandel, A, Kumar, A, Karthikeyan, S, Bachhawat, A.K. | | 登録日 | 2016-01-29 | | 公開日 | 2016-12-14 | | 最終更新日 | 2017-01-25 | | 実験手法 | X-RAY DIFFRACTION (1.755 Å) | | 主引用文献 | ChaC2, an Enzyme for Slow Turnover of Cytosolic Glutathione
J. Biol. Chem., 292, 2017
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5HWK
 | | Crystal structure of gama glutamyl cyclotransferease specific to glutathione from yeast | | 分子名称: | BENZOIC ACID, Glutathione-specific gamma-glutamylcyclotransferase, PHOSPHATE ION | | 著者 | Kaur, A, Gautam, R, Srivastava, R, Chandel, A, Kumar, A, Karthikeyan, S, Bachhawat, A.K. | | 登録日 | 2016-01-29 | | 公開日 | 2016-12-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.344 Å) | | 主引用文献 | ChaC2, an Enzyme for Slow Turnover of Cytosolic Glutathione
J. Biol. Chem., 292, 2017
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1FMQ
 | | Cyclo-butyl-bis-furamidine complexed with dCGCGAATTCGCG | | 分子名称: | 2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURAN, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | 著者 | Simpson, I.J, Lee, M, Kumar, A, Boykin, D.W, Neidle, S. | | 登録日 | 2000-08-18 | | 公開日 | 2000-09-11 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans
Bioorg.Med.Chem.Lett., 10, 2000
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1FMS
 | | Structure of complex between cyclohexyl-bis-furamidine and d(CGCGAATTCGCG) | | 分子名称: | 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | 著者 | Simpson, I.J, Lee, M, Kumar, A, Boykin, D.W, Neidle, S. | | 登録日 | 2000-08-18 | | 公開日 | 2000-09-11 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | DNA minor groove interactions and the biological activity of 2,5-bis-[4-(N-alkylamidino)phenyl] furans
Bioorg.Med.Chem.Lett., 10, 2000
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7VMH
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7VMI
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6IFG
 | | Crystal structure of M1 zinc metallopeptidase E323A mutant bound to Tyr-ser-ala substrate from Deinococcus radiodurans | | 分子名称: | FORMIC ACID, Tripeptides (TYR-SER-ALA), ZINC ION, ... | | 著者 | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | | 登録日 | 2018-09-20 | | 公開日 | 2019-09-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Two-domain aminopeptidase of M1 family: Structural features for substrate binding and gating in absence of C-terminal domain.
J.Struct.Biol., 208, 2019
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7Q4V
 | | Electron bifurcating hydrogenase - HydABC from A. woodii | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | 著者 | Katsyv, A, Kumar, A, Saura, P, Poeverlein, M.C, Freibert, S.A, Stripp, S, Jain, S, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | | 登録日 | 2021-11-02 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-03-29 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
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5XYL
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6IFF
 | | Crystal structure of M1 zinc metallopeptidase E323A mutant from Deinococcus radiodurans | | 分子名称: | SODIUM ION, TYROSINE, ZINC ION, ... | | 著者 | Agrawal, R, Kumar, A, Kumar, A, Gaur, N.K, Makde, R.D. | | 登録日 | 2018-09-20 | | 公開日 | 2019-09-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
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6KP1
 | | Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-methionine amino acid | | 分子名称: | METHIONINE, SODIUM ION, ZINC ION, ... | | 著者 | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | | 登録日 | 2019-08-13 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
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6KP0
 | | Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-arginine | | 分子名称: | ARGININE, SODIUM ION, ZINC ION, ... | | 著者 | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | | 登録日 | 2019-08-13 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
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6KOZ
 | | Crystal structure of two domain M1 zinc metallopeptidase E323 mutant bound to L-Leucine amino acid | | 分子名称: | LEUCINE, SODIUM ION, ZINC ION, ... | | 著者 | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | | 登録日 | 2019-08-13 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
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5IQY
 | | Structure of apo-Dehydroascorbate Reductase from Pennisetum Glaucum phased by Iodide-SAD method | | 分子名称: | Dehydroascorbate reductase, IODIDE ION | | 著者 | Das, B.K, Kumar, A, Manidola, P, Arockiasamy, A. | | 登録日 | 2016-03-11 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase
Biochem.Biophys.Res.Commun., 473, 2016
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1RL4
 | | Plasmodium falciparum peptide deformylase complex with inhibitor | | 分子名称: | (2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}HEXANOIC ACID, 2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE, COBALT (II) ION, ... | | 著者 | Robien, M.A, Nguyen, K.T, Kumar, A, Hirsh, I, Turley, S, Pei, D, Hol, W.G.J. | | 登録日 | 2003-11-24 | | 公開日 | 2003-12-09 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | An improved crystal form of Plasmodium falciparum peptide deformylase.
Protein Sci., 13, 2004
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1RQC
 | | Crystals of peptide deformylase from Plasmodium falciparum with ten subunits per asymmetric unit reveal critical characteristics of the active site for drug design | | 分子名称: | COBALT (II) ION, formylmethionine deformylase | | 著者 | Robien, M.A, Nguyen, K.T, Kumar, A, Hirsh, I, Turley, S, Pei, D, Hol, W.G. | | 登録日 | 2003-12-04 | | 公開日 | 2004-01-20 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | An improved crystal form of Plasmodium falciparum peptide deformylase
Protein Sci., 13, 2004
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8BG0
 | | Amyloid-beta tetrameric filaments with the Arctic mutation (E22G) from Alzheimer's disease brains | ABeta40 | | 分子名称: | Amyloid-beta precursor protein | | 著者 | Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordber, A, Goedert, M, Scheres, S.H.W. | | 登録日 | 2022-10-27 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-02-22 | | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | | 主引用文献 | Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
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