5OBJ
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![BU of 5obj by Molmil](/molmil-images/mine/5obj) | Aurora A kinase in complex with 2-(3-fluorophenyl)quinoline-4-carboxylic acid and ATP | 分子名称: | 2-(3-fluorophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | 著者 | Rossmann, M, Janecek, M, Hyvonen, M. | 登録日 | 2017-06-28 | 公開日 | 2017-08-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.901 Å) | 主引用文献 | Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase-TPX2 protein-protein interaction. Chem. Commun. (Camb.), 53, 2017
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2R1Q
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![BU of 2r1q by Molmil](/molmil-images/mine/2r1q) | |
7RJ8
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![BU of 7rj8 by Molmil](/molmil-images/mine/7rj8) | CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | 著者 | Pokross, M, Muckelbauer, J. | 登録日 | 2021-07-20 | 公開日 | 2022-02-23 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors. J.Med.Chem., 65, 2022
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5VNU
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![BU of 5vnu by Molmil](/molmil-images/mine/5vnu) | Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Mn-bound FeBMb | 分子名称: | MANGANESE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y. | 登録日 | 2017-05-01 | 公開日 | 2017-08-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.584 Å) | 主引用文献 | Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism. J. Am. Chem. Soc., 139, 2017
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5VRT
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![BU of 5vrt by Molmil](/molmil-images/mine/5vrt) | Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Co-bound FeBMb | 分子名称: | COBALT (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y. | 登録日 | 2017-05-11 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.995 Å) | 主引用文献 | Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism. J. Am. Chem. Soc., 139, 2017
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5DPV
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![BU of 5dpv by Molmil](/molmil-images/mine/5dpv) | Aurora A Kinase in Complex with AA35 and JNJ-7706621 in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-14 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.285 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DT0
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![BU of 5dt0 by Molmil](/molmil-images/mine/5dt0) | Aurora A Kinase in Complex with JNJ-7706621 in Space Group P6122 | 分子名称: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-17 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DR9
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![BU of 5dr9 by Molmil](/molmil-images/mine/5dr9) | Aurora A Kinase in Complex with AA29 and JNJ-7706621 in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-15 | 公開日 | 2016-07-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DN3
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![BU of 5dn3 by Molmil](/molmil-images/mine/5dn3) | Aurora A in complex with ATP and AA35. | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | 登録日 | 2015-09-09 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DR2
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![BU of 5dr2 by Molmil](/molmil-images/mine/5dr2) | Aurora A Kinase in Complex with AA30 and ATP in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-15 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DT4
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![BU of 5dt4 by Molmil](/molmil-images/mine/5dt4) | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-17 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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4FN4
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![BU of 4fn4 by Molmil](/molmil-images/mine/4fn4) | short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius | 分子名称: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | 著者 | Pennacchio, A, Sannino, V, Sorrentino, G, Rossi, M, Raia, C.A, Esposito, L. | 登録日 | 2012-06-19 | 公開日 | 2012-08-15 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Biochemical and structural characterization of recombinant short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius highly enantioselective on diaryl diketone benzil. Appl.Microbiol.Biotechnol., 97, 2013
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3HCV
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![BU of 3hcv by Molmil](/molmil-images/mine/3hcv) | Crystal structure of HLA-B*2709 complexed with the double citrullinated vasoactive intestinal peptide type 1 receptor (VIPR) peptide (residues 400-408) | 分子名称: | Beta-2-microglobulin, DOUBLE CITRULLINATED VASOACTIVE INTESTINAL POLYPEPTIDE RECEPTOR, HLA class I histocompatibility antigen, ... | 著者 | Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W. | 登録日 | 2009-05-06 | 公開日 | 2009-06-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Citrullination-and mhc polymorphism-dependent conformational changes of
a self peptide To be Published
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1MM2
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![BU of 1mm2 by Molmil](/molmil-images/mine/1mm2) | Solution structure of the 2nd PHD domain from Mi2b | 分子名称: | Mi2-beta, ZINC ION | 著者 | Kwan, A.H.Y, Gell, D.A, Verger, A, Crossley, M, Matthews, J.M, Mackay, J.P. | 登録日 | 2002-09-02 | 公開日 | 2003-07-22 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Engineering a Protein Scaffold from a PHD Finger structure, 11, 2003
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1A8L
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![BU of 1a8l by Molmil](/molmil-images/mine/1a8l) | PROTEIN DISULFIDE OXIDOREDUCTASE FROM ARCHAEON PYROCOCCUS FURIOSUS | 分子名称: | PROTEIN DISULFIDE OXIDOREDUCTASE, ZINC ION | 著者 | Ren, B, Tibbelin, G, Pascale, D, Rossi, M, Bartolucci, S, Ladenstein, R. | 登録日 | 1998-03-26 | 公開日 | 1999-03-30 | 最終更新日 | 2011-11-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus contains two thioredoxin fold units. Nat.Struct.Biol., 5, 1998
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1QUW
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![BU of 1quw by Molmil](/molmil-images/mine/1quw) | SOLUTION STRUCTURE OF THE THIOREDOXIN FROM BACILLUS ACIDOCALDARIUS | 分子名称: | THIOREDOXIN | 著者 | Nicastro, G, de Chiara, C, Pedone, E, Tato, M, Rossi, M. | 登録日 | 1999-07-02 | 公開日 | 2000-01-26 | 最終更新日 | 2022-03-02 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR solution structure of a novel thioredoxin from Bacillus acidocaldarius possible determinants of protein stability. Eur.J.Biochem., 267, 2000
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3I4C
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![BU of 3i4c by Molmil](/molmil-images/mine/3i4c) | Crystal structure of Sulfolobus Solfataricus ADH(SsADH) double mutant (W95L,N249Y) | 分子名称: | NAD-dependent alcohol dehydrogenase, ZINC ION | 著者 | Esposito, L, Pennacchio, A, Zagari, A, Rossi, M, Raia, C.A. | 登録日 | 2009-07-01 | 公開日 | 2009-07-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Role of Tryptophan 95 in substrate specificity and structural stability of Sulfolobus solfataricus alcohol dehydrogenase Extremophiles, 13, 2009
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1D5N
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![BU of 1d5n by Molmil](/molmil-images/mine/1d5n) | CRYSTAL STRUCTURE OF E. COLI MNSOD AT 100K | 分子名称: | MANGANESE (II) ION, PROTEIN (MANGANESE SUPEROXIDE DISMUTASE) | 著者 | Borgstahl, G.E.O, Pokross, M, Chehab, R, Sekher, A, Snell, E.H. | 登録日 | 1999-10-08 | 公開日 | 2000-03-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Cryo-trapping the six-coordinate, distorted-octahedral active site of manganese superoxide dismutase. J.Mol.Biol., 296, 2000
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5DNR
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![BU of 5dnr by Molmil](/molmil-images/mine/5dnr) | Aurora A Kinase in complex with ATP in space group P41212 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | 登録日 | 2015-09-10 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DR6
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![BU of 5dr6 by Molmil](/molmil-images/mine/5dr6) | Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-15 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.534 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DT3
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![BU of 5dt3 by Molmil](/molmil-images/mine/5dt3) | Aurora A Kinase in Complex with ATP in Space Group P6122 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-17 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DOS
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![BU of 5dos by Molmil](/molmil-images/mine/5dos) | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-11 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DRD
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![BU of 5drd by Molmil](/molmil-images/mine/5drd) | Aurora A Kinase in Complex with ATP in Space Group P6122 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-15 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5F8K
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![BU of 5f8k by Molmil](/molmil-images/mine/5f8k) | Crystal structure of the Bac7(1-16) antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A. | 登録日 | 2015-12-09 | 公開日 | 2016-02-03 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome. Nucleic Acids Res., 44, 2016
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5FDU
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![BU of 5fdu by Molmil](/molmil-images/mine/5fdu) | Crystal structure of the Metalnikowin I antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | 分子名称: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A. | 登録日 | 2015-12-16 | 公開日 | 2016-01-27 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome. Nucleic Acids Res., 44, 2016
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