6RTD
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![BU of 6rtd by Molmil](/molmil-images/mine/6rtd) | Dihydro-heme d1 dehydrogenase NirN in complex with DHE | 分子名称: | (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C, ... | 著者 | Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W. | 登録日 | 2019-05-23 | 公開日 | 2019-06-19 | 最終更新日 | 2019-08-28 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis. J.Mol.Biol., 431, 2019
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2XC4
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![BU of 2xc4 by Molmil](/molmil-images/mine/2xc4) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | 分子名称: | (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | 登録日 | 2010-04-16 | 公開日 | 2010-08-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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4U9I
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![BU of 4u9i by Molmil](/molmil-images/mine/4u9i) | High Resolution Structure Of The Ni-R State Of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE3-S4 CLUSTER, ... | 著者 | Ogata, H, Nishikawa, K, Lubitz, W. | 登録日 | 2014-08-06 | 公開日 | 2015-01-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Hydrogens detected by subatomic resolution protein crystallography in a [NiFe] hydrogenase. Nature, 520, 2015
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1C51
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![BU of 1c51 by Molmil](/molmil-images/mine/1c51) | PHOTOSYNTHETIC REACTION CENTER AND CORE ANTENNA SYSTEM (TRIMERIC), ALPHA CARBON ONLY | 分子名称: | CHLOROPHYLL A, IRON/SULFUR CLUSTER, PHYLLOQUINONE, ... | 著者 | Klukas, O, Schubert, W.D, Jordan, P, Krauss, N, Fromme, P, Witt, H.T, Saenger, W. | 登録日 | 1999-10-21 | 公開日 | 2000-03-31 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | Photosystem I, an improved model of the stromal subunits PsaC, PsaD, and PsaE. J.Biol.Chem., 274, 1999
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4TV1
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![BU of 4tv1 by Molmil](/molmil-images/mine/4tv1) | Crystal structure of hERa-LBD (Y537S) in complex with propylparaben | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Estrogen receptor, ... | 著者 | Delfosse, V, Grimaldi, M, Bourguet, W. | 登録日 | 2014-06-25 | 公開日 | 2015-01-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A structural perspective on nuclear receptors as targets of environmental compounds. Acta Pharmacol.Sin., 36, 2015
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2XC0
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![BU of 2xc0 by Molmil](/molmil-images/mine/2xc0) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | 分子名称: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4--DICARBOXYLIC ACID 3-[(3-FLUORO-4-METHOXY-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | 登録日 | 2010-04-15 | 公開日 | 2010-08-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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4TY8
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![BU of 4ty8 by Molmil](/molmil-images/mine/4ty8) | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | 分子名称: | 6-methyl-2H-chromen-2-one, Polyprotein | 著者 | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | 登録日 | 2014-07-08 | 公開日 | 2015-05-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline Sci Rep, 5, 2015
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4TUZ
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![BU of 4tuz by Molmil](/molmil-images/mine/4tuz) | Crystal structure of hERa-LBD (Y537S) in complex with alpha-zearalenol | 分子名称: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, 1,2-ETHANEDIOL, Estrogen receptor, ... | 著者 | Delfosse, V, Grimaldi, M, Bourguet, W. | 登録日 | 2014-06-25 | 公開日 | 2015-01-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A structural perspective on nuclear receptors as targets of environmental compounds. Acta Pharmacol. Sin., 36, 2015
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4TV3
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![BU of 4tv3 by Molmil](/molmil-images/mine/4tv3) | Isolated p110a subunit of PI3Ka provides a platform for structure-based drug design | 分子名称: | 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Chen, P, Deng, Y.-L, Bergqvist, S, Falk, M, Liu, W, Timofeevski, S. | 登録日 | 2014-06-25 | 公開日 | 2014-08-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Engineering of an isolated p110 alpha subunit of PI3K alpha permits crystallization and provides a platform for structure-based drug design. Protein Sci., 23, 2014
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4U82
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![BU of 4u82 by Molmil](/molmil-images/mine/4u82) | Structure of S. aureus undecaprenyl diphosphate synthase in complex with FSPP and sulfate | 分子名称: | Isoprenyl transferase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | 著者 | Zhu, W, Oldfield, E. | 登録日 | 2014-07-31 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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4U86
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![BU of 4u86 by Molmil](/molmil-images/mine/4u86) | Human Pin1 with cysteine sulfonic acid 113 | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Li, W, Zhang, Y. | 登録日 | 2014-08-01 | 公開日 | 2015-04-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
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4U8G
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![BU of 4u8g by Molmil](/molmil-images/mine/4u8g) | Crystal structure of 2-keto-3-deoxy-D-gluconate dehydrogenase from Streptococcus agalactiae | 分子名称: | Putative uncharacterized protein gbs1891 | 著者 | Maruyama, Y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W. | 登録日 | 2014-08-03 | 公開日 | 2014-12-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE. J.Biol.Chem., 290, 2015
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4U13
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![BU of 4u13 by Molmil](/molmil-images/mine/4u13) | Crystal structure of putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution | 分子名称: | putative polyketide cyclase SMa1630 | 著者 | Shabalin, I.G, Bacal, P, Osinski, T, Cooper, D.R, Szlachta, K, Stead, M, Grabowski, M, Hammonds, J, Ahmed, M, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2014-07-14 | 公開日 | 2014-09-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of a putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution to be published
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6RTE
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![BU of 6rte by Molmil](/molmil-images/mine/6rte) | Dihydro-heme d1 dehydrogenase NirN in complex with DHE | 分子名称: | (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C | 著者 | Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W. | 登録日 | 2019-05-23 | 公開日 | 2019-06-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis. J.Mol.Biol., 431, 2019
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5O2F
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![BU of 5o2f by Molmil](/molmil-images/mine/5o2f) | Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | 登録日 | 2017-05-20 | 公開日 | 2018-12-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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8K6Z
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![BU of 8k6z by Molmil](/molmil-images/mine/8k6z) | NMR structure of human leptin | 分子名称: | Leptin | 著者 | Fan, X, Qin, R, Yuan, W, Fan, J, Huang, W, Lin, Z. | 登録日 | 2023-07-26 | 公開日 | 2024-02-07 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | The solution structure of human leptin reveals a conformational plasticity important for receptor recognition. Structure, 32, 2024
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4U39
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![BU of 4u39 by Molmil](/molmil-images/mine/4u39) | Crystal Structure of FtsZ:MciZ Complex from Bacillus subtilis | 分子名称: | Cell division factor, Cell division protein FtsZ, PHOSPHATE ION | 著者 | Bisson-Filho, A.W, Discola, K.F, Castellen, P, Blasios, V, Martins, A, Sforca, M.L, Garcia, W, Zeri, A.C, Erickson, H.P, Dessen, A, Gueiros-Filho, F.J. | 登録日 | 2014-07-19 | 公開日 | 2015-03-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.194 Å) | 主引用文献 | Crystal Structure of FtsZ:MciZ Complex from Bacillus subtilis To be Published
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4U8E
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![BU of 4u8e by Molmil](/molmil-images/mine/4u8e) | Crystal structure of 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase from Streptococcus agalactiae | 分子名称: | Putative uncharacterized protein gbs1892 | 著者 | Maruyama, y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W. | 登録日 | 2014-08-03 | 公開日 | 2015-01-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE J.Biol.Chem., 290, 2015
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7NF8
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![BU of 7nf8 by Molmil](/molmil-images/mine/7nf8) | Ovine (b0,+AT-rBAT)2 hetero-tetramer, asymmetric unit, rigid-body fitted | 分子名称: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lee, Y, Kuehlbrandt, W. | 登録日 | 2021-02-05 | 公開日 | 2022-01-19 | 最終更新日 | 2022-06-08 | 実験手法 | ELECTRON MICROSCOPY (2.83 Å) | 主引用文献 | Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria. Nat Commun, 13, 2022
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7NF7
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![BU of 7nf7 by Molmil](/molmil-images/mine/7nf7) | Ovine rBAT ectodomain homodimer, asymmetric unit | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Lee, Y, Kuehlbrandt, W. | 登録日 | 2021-02-05 | 公開日 | 2022-01-19 | 最終更新日 | 2022-06-01 | 実験手法 | ELECTRON MICROSCOPY (2.68 Å) | 主引用文献 | Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria. Nat Commun, 13, 2022
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7NF6
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![BU of 7nf6 by Molmil](/molmil-images/mine/7nf6) | Ovine b0,+AT-rBAT heterodimer | 分子名称: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lee, Y, Kuehlbrandt, W. | 登録日 | 2021-02-05 | 公開日 | 2022-01-19 | 最終更新日 | 2022-06-01 | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | 主引用文献 | Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria. Nat Commun, 13, 2022
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4U84
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![BU of 4u84 by Molmil](/molmil-images/mine/4u84) | Human Pin1 with S-hydroxyl-cysteine 113 | 分子名称: | POLYETHYLENE GLYCOL (N=34), Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Li, W, Zhang, Y. | 登録日 | 2014-08-01 | 公開日 | 2015-04-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
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4U9H
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![BU of 4u9h by Molmil](/molmil-images/mine/4u9h) | Ultra High Resolution Structure Of The Ni-R State Of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE3-S4 CLUSTER, ... | 著者 | Ogata, H, Nishikawa, K, Lubitz, W. | 登録日 | 2014-08-06 | 公開日 | 2015-01-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (0.89 Å) | 主引用文献 | Hydrogens detected by subatomic resolution protein crystallography in a [NiFe] hydrogenase. Nature, 520, 2015
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6URC
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![BU of 6urc by Molmil](/molmil-images/mine/6urc) | Crystal structure of IRE1a in complex with compound 18 | 分子名称: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | 著者 | Wallweber, H.H, Wang, W. | 登録日 | 2019-10-23 | 公開日 | 2019-11-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4U7U
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![BU of 4u7u by Molmil](/molmil-images/mine/4u7u) | Crystal structure of RNA-guided immune Cascade complex from E.coli | 分子名称: | CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ... | 著者 | Zhao, H, Sheng, G, Wang, J, Wang, M, Bunkoczi, G, Gong, W, Wei, Z, Wang, Y. | 登録日 | 2014-07-31 | 公開日 | 2014-08-27 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.003 Å) | 主引用文献 | Crystal structure of the RNA-guided immune surveillance Cascade complex in Escherichia coli Nature, 515, 2014
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