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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1KY8
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![BU of 1ky8 by Molmil](/molmil-images/mine/1ky8) | Crystal Structure of the Non-phosphorylating glyceraldehyde-3-phosphate Dehydrogenase | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, glyceraldehyde-3-phosphate dehydrogenase | Authors: | Pohl, E, Brunner, N, Wilmanns, M, Hensel, R. | Deposit date: | 2002-02-04 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Crystal Structure of the Allosteric Non-phosphorylating
glyceraldehyde-3-phosphate Dehydrogenase from the Hyperthermophilic
Archaeum Thermoproteus tenax J.Biol.Chem., 277, 2002
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5ORJ
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![BU of 5orj by Molmil](/molmil-images/mine/5orj) | The crystal structure of CK2alpha in complex with compound 3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-16 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OTP
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![BU of 5otp by Molmil](/molmil-images/mine/5otp) | The crystal structure of CK2alpha in complex with an analogue of compound 22 | Descriptor: | 2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine, 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: | 2017-08-22 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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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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4GPD
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![BU of 4gpd by Molmil](/molmil-images/mine/4gpd) | |
5BQ7
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![BU of 5bq7 by Molmil](/molmil-images/mine/5bq7) | |
2BS7
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![BU of 2bs7 by Molmil](/molmil-images/mine/2bs7) | Crystal structure of F17b-G in complex with chitobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, F17BG LECTIN | Authors: | Buts, L, Wellens, A, Van Molle, I, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J. | Deposit date: | 2005-05-18 | Release date: | 2006-05-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Impact of Natural Variation in Bacterial F17G Adhesins on Crystallization Behaviour. Acta Crystallogr.,Sect.D, 61, 2005
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5LMH
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![BU of 5lmh by Molmil](/molmil-images/mine/5lmh) | High dose Thaumatin - 160-200 ms. | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Schubert, R, Kapis, S, Heymann, M, Giquel, Y, Bourenkov, G, Schneider, T, Betzel, C, Perbandt, M. | Deposit date: | 2016-07-30 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | A multicrystal diffraction data-collection approach for studying structural dynamics with millisecond temporal resolution. IUCrJ, 3, 2016
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5O3S
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![BU of 5o3s by Molmil](/molmil-images/mine/5o3s) | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in Apo state, hexagonal crystal form | Descriptor: | Membrane-associated protein slr1513 | Authors: | Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D. | Deposit date: | 2017-05-24 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PII-like signaling protein SbtB links cAMP sensing with cyanobacterial inorganic carbon response. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5O3P
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![BU of 5o3p by Molmil](/molmil-images/mine/5o3p) | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in Apo state, trigonal crystal form | Descriptor: | DI(HYDROXYETHYL)ETHER, Membrane-associated protein slr1513, PENTAETHYLENE GLYCOL | Authors: | Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D. | Deposit date: | 2017-05-24 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | PII-like signaling protein SbtB links cAMP sensing with cyanobacterial inorganic carbon response. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2WTY
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![BU of 2wty by Molmil](/molmil-images/mine/2wty) | Crystal structure of the homodimeric MafB in complex with the T-MARE binding site | Descriptor: | DNA (5'-D(*TP*AP*AP*TP*TP*GP*CP*TP*GP*AP*CP*TP*CP*AP *GP*CP*AP*AP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*TP*TP*GP*CP*TP*GP*AP*GP*TP*CP*AP *GP*CP*AP*AP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Consani Textor, L, Holton, S, Wilmanns, M. | Deposit date: | 2009-09-25 | Release date: | 2010-12-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design of a bZIP Transcription Factor with Homo/Heterodimer-Induced DNA-Binding Preference. Structure, 22, 2014
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2BUC
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![BU of 2buc by Molmil](/molmil-images/mine/2buc) | Crystal Structure Of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with a Tetrahydroisoquinoline Inhibitor | Descriptor: | (S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nordhoff, S, Cerezo-Galvez, S, Feurer, A, Hill, O, Matassa, V.G, Metz, G, Rummey, C, Thiemann, M, Edwards, P.J. | Deposit date: | 2005-06-09 | Release date: | 2006-01-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors. Bioorg. Med. Chem. Lett., 16, 2006
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5J7U
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![BU of 5j7u by Molmil](/molmil-images/mine/5j7u) | Faustovirus major capsid protein | Descriptor: | major capsid protein, unknown | Authors: | Klose, T, Rossmann, M.G. | Deposit date: | 2016-04-06 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structure of faustovirus, a large dsDNA virus. Proc.Natl.Acad.Sci.USA, 113, 2016
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2WT7
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![BU of 2wt7 by Molmil](/molmil-images/mine/2wt7) | Crystal structure of the bZIP heterodimeric complex MafB:cFos bound to DNA | Descriptor: | MODIFIED T-MARE MOTIF, PHOSPHATE ION, PROTO-ONCOGENE PROTEIN C-FOS, ... | Authors: | Pogenberg, V, Holton, S, Wilmanns, M. | Deposit date: | 2009-09-11 | Release date: | 2010-09-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design of a bZIP Transcription Factor with Homo/Heterodimer-Induced DNA-Binding Preference. Structure, 22, 2014
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2V8C
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![BU of 2v8c by Molmil](/molmil-images/mine/2v8c) | Mouse Profilin IIa in complex with the proline-rich domain of VASP | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, PROFILIN-2, ... | Authors: | Kursula, P, Downer, J, Witke, W, Wilmanns, M. | Deposit date: | 2007-08-06 | Release date: | 2007-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp. J.Mol.Biol., 375, 2008
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5ORH
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![BU of 5orh by Molmil](/molmil-images/mine/5orh) | The crystal structure of CK2alpha in complex with compound 2 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-16 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OYF
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![BU of 5oyf by Molmil](/molmil-images/mine/5oyf) | The crystal structure of CK2alpha in complex with compound 31 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine, 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: | 2017-09-08 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OUE
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![BU of 5oue by Molmil](/molmil-images/mine/5oue) | The crystal structure of CK2alpha in complex with compound 20 | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium, 3-methyl-5-oxidanyl-benzoic acid, ACETATE ION, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-23 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OQU
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![BU of 5oqu by Molmil](/molmil-images/mine/5oqu) | The crystal structure of CK2alpha in complex with compound 5 | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-14 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.324 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OUL
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![BU of 5oul by Molmil](/molmil-images/mine/5oul) | The crystal structure of CK2alpha in complex with compound 9 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-24 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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2XQH
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![BU of 2xqh by Molmil](/molmil-images/mine/2xqh) | Crystal structure of an immunoglobulin-binding fragment of the trimeric autotransporter adhesin EibD | Descriptor: | CHLORIDE ION, IMMUNOGLOBULIN-BINDING PROTEIN EIBD | Authors: | Leo, J.C, Lyskowski, A, Hartmann, M, Schwarz, H, Linke, D, Lupas, A.N, Goldman, A. | Deposit date: | 2010-09-02 | Release date: | 2011-07-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The Structure of E. Coli Igg-Binding Protein D Suggests a General Model for Bending and Binding in Trimeric Autotransporter Adhesins. Structure, 19, 2011
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1LZN
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![BU of 1lzn by Molmil](/molmil-images/mine/1lzn) | NEUTRON STRUCTURE OF HEN EGG-WHITE LYSOZYME | Descriptor: | NITRATE ION, PROTEIN (LYSOZYME), SODIUM ION | Authors: | Bon, C.I, Lehmann, M.S, Wilkinson, C. | Deposit date: | 1999-03-23 | Release date: | 1999-04-01 | Last modified: | 2023-12-27 | Method: | NEUTRON DIFFRACTION (1.7 Å) | Cite: | Quasi-Laue neutron-diffraction study of the water arrangement in crystals of triclinic hen egg-white lysozyme. Acta Crystallogr.,Sect.D, 55, 1999
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3GVM
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![BU of 3gvm by Molmil](/molmil-images/mine/3gvm) | |