5FDV
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![BU of 5fdv by Molmil](/molmil-images/mine/5fdv) | Crystal structure of the Pyrrhocoricin antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A. | Deposit date: | 2015-12-16 | Release date: | 2016-01-27 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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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5NJE
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![BU of 5nje by Molmil](/molmil-images/mine/5nje) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with Alpha-Bromo-3-Iodotoluene. | Descriptor: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-03-28 | Release date: | 2018-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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5NEI
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![BU of 5nei by Molmil](/molmil-images/mine/5nei) | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with JES107 | Descriptor: | 2-[[3-[[5-(3-iodanylphenyl)carbonylthiophen-2-yl]carbonylamino]phenyl]methyl]propanedioic acid, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-03-10 | Release date: | 2018-02-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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5NMM
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![BU of 5nmm by Molmil](/molmil-images/mine/5nmm) | The structure of the polo-box domain (PBD) of Plk1 in complex with Alpha-Bromo-3-Iodotoluene. | Descriptor: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-04-06 | Release date: | 2018-02-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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5NN2
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![BU of 5nn2 by Molmil](/molmil-images/mine/5nn2) | The structure of the polo-box domain (PBD) of Plk1 in complex with Z228588490 | Descriptor: | (3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-04-07 | Release date: | 2018-02-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A fragment-based approach to developing inhibitors of the cryptic pocket of the Polo-Like Kinase 1 Polo-Box Domain. To Be Published
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1JJI
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![BU of 1jji by Molmil](/molmil-images/mine/1jji) | The Crystal Structure of a Hyper-thermophilic Carboxylesterase from the Archaeon Archaeoglobus fulgidus | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carboxylesterase | Authors: | De Simone, G, Menchise, V, Manco, G, Mandrich, L, Sorrentino, N, Lang, D, Rossi, M, Pedone, C. | Deposit date: | 2001-07-06 | Release date: | 2001-12-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus. J.Mol.Biol., 314, 2001
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3B3I
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![BU of 3b3i by Molmil](/molmil-images/mine/3b3i) | Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Beltrami, A, Rossmann, M, Fiorillo, M.T, Paladini, F, Sorrentino, R, Saenger, W, Kumar, P, Ziegler, A, Uchanska-Ziegler, B. | Deposit date: | 2007-10-22 | Release date: | 2008-07-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes. J.Biol.Chem., 283, 2008
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2VF6
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![BU of 2vf6 by Molmil](/molmil-images/mine/2vf6) | Human FDPS synthase in complex with minodronate | Descriptor: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), FARNESYL PYROPHOSPHATE SYNTHETASE, MAGNESIUM ION | Authors: | Evdokimov, A.G, Barnett, B.L, Ebetino, F.H, Pokross, M. | Deposit date: | 2007-10-31 | Release date: | 2007-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human Fdps Synthase in Complex with Novel Inhibitor To be Published
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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 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2015-09-14 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | 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 | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | Authors: | 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. | Deposit date: | 2015-09-17 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2015-09-15 | Release date: | 2016-07-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | 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. | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | Authors: | 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. | Deposit date: | 2015-09-09 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 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 | Descriptor: | 2-(3-bromophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | Authors: | 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. | Deposit date: | 2015-09-15 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | 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 | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | Authors: | 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. | Deposit date: | 2015-09-17 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | 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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3D18
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![BU of 3d18 by Molmil](/molmil-images/mine/3d18) | Crystal structure of HLA-B*2709 complexed with a variant of the latent membrane protein 2 peptide (LMP2(L)) of epstein-barr virus | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ... | Authors: | Beltrami, A, Gabdulkhakov, A, Rossmann, M, Ziegler, A, Uchanska-Ziegler, B, Saenger, W. | Deposit date: | 2008-05-05 | Release date: | 2009-05-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of HLA-B*2709 complexed with a variant of the latent membrane protein 2 peptide (LMP2(L)) of epstein-barr virus To be Published
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3B6S
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![BU of 3b6s by Molmil](/molmil-images/mine/3b6s) | Crystal Structure of hla-b*2705 Complexed with the Citrullinated Vasoactive Intestinal Peptide Type 1 Receptor (vipr) Peptide (residues 400-408) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ... | Authors: | Beltrami, A, Rossmann, M, Fiorillo, M.T, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, A. | Deposit date: | 2007-10-29 | Release date: | 2008-07-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Citrullination-dependent Differential Presentation of a Self-peptide by HLA-B27 Subtypes. J.Biol.Chem., 283, 2008
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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 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | Authors: | 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. | Deposit date: | 2015-09-10 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2015-09-15 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.534 Å) | Cite: | 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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2VL6
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![BU of 2vl6 by Molmil](/molmil-images/mine/2vl6) | STRUCTURAL ANALYSIS OF THE SULFOLOBUS SOLFATARICUS MCM PROTEIN N- TERMINAL DOMAIN | Descriptor: | MINICHROMOSOME MAINTENANCE PROTEIN MCM, ZINC ION | Authors: | Liu, W, Pucci, B, Rossi, M, Pisani, F.M, Ladenstein, R. | Deposit date: | 2008-01-08 | Release date: | 2008-04-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Analysis of the Sulfolobus Solfataricus Mcm Protein N-Terminal Domain. Nucleic Acids Res., 36, 2008
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1WO6
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![BU of 1wo6 by Molmil](/molmil-images/mine/1wo6) | Solution structure of Designed Functional Finger 5 (DFF5): Designed mutant based on non-native CHANCE domain | Descriptor: | CREB Binding Protein, ZINC ION | Authors: | Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P. | Deposit date: | 2004-08-12 | Release date: | 2005-03-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting Structure, 13, 2005
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1WO4
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![BU of 1wo4 by Molmil](/molmil-images/mine/1wo4) | Solution structure of Minimal Mutant 2 (MM2): Multiple alanine mutant of non-native CHANCE domain | Descriptor: | CREB Binding Protein, ZINC ION | Authors: | Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P. | Deposit date: | 2004-08-12 | Release date: | 2005-03-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting Structure, 13, 2005
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1WO5
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![BU of 1wo5 by Molmil](/molmil-images/mine/1wo5) | Solution structure of Designed Functional Finger 2 (DFF2): Designed mutant based on non-native CHANCE domain | Descriptor: | CREB Binding Protein, ZINC ION | Authors: | Sharpe, B.K, Liew, C.K, Wilce, J.A, Crossley, M, Matthews, J.M, Mackay, J.P. | Deposit date: | 2004-08-12 | Release date: | 2005-03-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Assessment of the robustness of a serendipitous zinc binding fold: mutagenesis and protein grafting Structure, 13, 2005
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4OUU
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![BU of 4ouu by Molmil](/molmil-images/mine/4ouu) | anti-MT1-MMP monoclonal antibody | Descriptor: | anti_MT1-MMP Heavy chain, anti_MT1-MMP light chain | Authors: | Udi, Y, Grossman, M, Solomonov, I, Dym, O, Rozenberg, H, Koziol, A, Cuniasse, P, Dive, V, Arroyo, A.G, Irit, S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2014-02-19 | Release date: | 2014-12-17 | Last modified: | 2015-01-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody. Structure, 23, 2015
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6EII
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![BU of 6eii by Molmil](/molmil-images/mine/6eii) | The crystal structure of CK2alpha in complex with compound 18 | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-09-19 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.935 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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1ORY
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![BU of 1ory by Molmil](/molmil-images/mine/1ory) | FLAGELLAR EXPORT CHAPERONE IN COMPLEX WITH ITS COGNATE BINDING PARTNER | Descriptor: | Flagellin, PHOSPHATE ION, flagellar protein FliS | Authors: | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | Deposit date: | 2003-03-17 | Release date: | 2003-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion Nat.Struct.Biol., 10, 2003
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