6TDF
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![BU of 6tdf by Molmil](/molmil-images/mine/6tdf) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3 | Descriptor: | 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol, 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ... | Authors: | Raimi, O.G, Stanley, M, Lockhart, D. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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1XWQ
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![BU of 1xwq by Molmil](/molmil-images/mine/1xwq) | Structure Of A Cold-Adapted Family 8 Xylanase | Descriptor: | beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, endo-1,4-beta-xylanase | Authors: | De Vos, D, Collins, T, Hoyoux, A, Savvides, S.N, Gerday, C, Van Beeumen, J.J, Feller, G. | Deposit date: | 2004-11-02 | Release date: | 2005-10-11 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Study of the active site residues of a glycoside hydrolase family 8 xylanase J.Mol.Biol., 354, 2005
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3WDO
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![BU of 3wdo by Molmil](/molmil-images/mine/3wdo) | Structure of E. coli YajR transporter | Descriptor: | MFS Transporter | Authors: | Jiang, D. | Deposit date: | 2013-06-19 | Release date: | 2013-08-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structure of the YajR transporter suggests a transport mechanism based on the conserved motif A Proc.Natl.Acad.Sci.USA, 110, 2013
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1XON
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![BU of 1xon by Molmil](/molmil-images/mine/1xon) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Piclamilast | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE, ... | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-10-06 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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5V94
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![BU of 5v94 by Molmil](/molmil-images/mine/5v94) | Pekin duck egg lysozyme isoform III (DEL-III), cubic form | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ... | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2017-03-22 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis of antigen recognition: crystal structure of duck egg lysozyme. Acta Crystallogr D Struct Biol, 73, 2017
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3SP4
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![BU of 3sp4 by Molmil](/molmil-images/mine/3sp4) | Crystal structure of aprataxin ortholog Hnt3 from Schizosaccharomyces pombe | Descriptor: | Aprataxin-like protein, SULFATE ION, ZINC ION | Authors: | Gong, Y, Zhu, D, Ding, J, Dou, C, Ren, X, Jiang, T, Wang, D. | Deposit date: | 2011-07-01 | Release date: | 2011-10-12 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA Nat.Struct.Mol.Biol., 18, 2011
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1XSE
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![BU of 1xse by Molmil](/molmil-images/mine/1xse) | Crystal Structure of Guinea Pig 11beta-Hydroxysteroid Dehydrogenase Type 1 | Descriptor: | 11beta-hydroxysteroid dehydrogenase type 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ogg, D, Elleby, B, Norstrom, C, Stefansson, K, Abrahmsen, L, Oppermann, U, Svensson, S. | Deposit date: | 2004-10-19 | Release date: | 2004-11-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of guinea pig 11beta-hydroxysteroid dehydrogenase type 1 provides a model for enzyme-lipid bilayer interactions J.Biol.Chem., 280, 2005
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6TGU
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![BU of 6tgu by Molmil](/molmil-images/mine/6tgu) | Crystal structure of human protein kinase CK2alpha'(CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor Cl-OH-3 | Descriptor: | 1,2-ETHANEDIOL, 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha' | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | Deposit date: | 2019-11-18 | Release date: | 2020-07-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (0.833 Å) | Cite: | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2. J.Med.Chem., 63, 2020
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6TBE
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![BU of 6tbe by Molmil](/molmil-images/mine/6tbe) | LC3A in complex with (3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-isopentylbenzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate | Descriptor: | 1,2-ETHANEDIOL, Microtubule-associated proteins 1A/1B light chain 3A, NOVOBIOCIN | Authors: | Kramer, J.S, Pogoryelov, D, Hartmann, M, Chaikuad, A, Proschak, E. | Deposit date: | 2019-11-01 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67008042 Å) | Cite: | Demonstrating Ligandability of the LC3A and LC3B Adapter Interface. J.Med.Chem., 64, 2021
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1XT4
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![BU of 1xt4 by Molmil](/molmil-images/mine/1xt4) | Urate Oxidase From Aspergillus Flavus Complexed With Guanine | Descriptor: | GUANINE, Uricase | Authors: | Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T. | Deposit date: | 2004-10-21 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site. Acta Crystallogr.,Sect.D, 61, 2005
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1YMG
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![BU of 1ymg by Molmil](/molmil-images/mine/1ymg) | The Channel Architecture of Aquaporin O at 2.2 Angstrom Resolution | Descriptor: | Lens fiber major intrinsic protein, nonyl beta-D-glucopyranoside | Authors: | Harries, W.E.C, Akhavan, D, Miercke, L.J.W, Khademi, S, Stroud, R.M. | Deposit date: | 2005-01-20 | Release date: | 2005-02-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | The Channel Architecture of Aquaporin 0 at a 2.2-A Resolution Proc.Natl.Acad.Sci.USA, 101, 2004
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1YNR
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![BU of 1ynr by Molmil](/molmil-images/mine/1ynr) | Crystal structure of the cytochrome c-552 from Hydrogenobacter thermophilus at 2.0 resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome c-552, HEME C, ... | Authors: | Travaglini-Allocatelli, C, Gianni, S, Dubey, V.K, Borgia, A, Di Matteo, A, Bonivento, D, Cutruzzola, F, Bren, K.L, Brunori, M. | Deposit date: | 2005-01-25 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An Obligatory Intermediate in the Folding Pathway of Cytochrome c552 from Hydrogenobacter thermophilus J.Biol.Chem., 280, 2005
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1YL8
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![BU of 1yl8 by Molmil](/molmil-images/mine/1yl8) | 3D Solution Structure of [Tyr3]Octreotate derivatives in DMSO | Descriptor: | [Tyr3]Octreotate peptide | Authors: | Spyroulias, G.A, Galanis, A.S, Petrou, C, Vahliotis, D, Sotiriou, P, Nikolopoulou, A, Nock, B, Maina, T, Cordopatis, P. | Deposit date: | 2005-01-19 | Release date: | 2005-09-20 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | 3D solution structure of [Tyr3]octreotate derivatives in DMSO: structure differentiation of peptide core due to chelate group attachment and biologically active conformation. Med.Chem., 1, 2005
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6TDG
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![BU of 6tdg by Molmil](/molmil-images/mine/6tdg) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 2 | Descriptor: | 2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline, ACETYL COENZYME *A, Glucosamine 6-phosphate N-acetyltransferase | Authors: | Raimi, O.G, Stanley, M, Lockhart, D. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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1YL9
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![BU of 1yl9 by Molmil](/molmil-images/mine/1yl9) | 3D Solution Structure of [Tyr3]Octreotate derivatives in DMSO | Descriptor: | 3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINOETHYL)AMINO]METHYL}PROPANAL, [Tyr3]Octreotate | Authors: | Spyroulias, G.A, Galanis, A.S, Petrou, C, Vahliotis, D, Sotiriou, P, Nikolopoulou, A, Nock, B, Maina, T, Cordopatis, P. | Deposit date: | 2005-01-19 | Release date: | 2005-09-20 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | 3D solution structure of [Tyr3]octreotate derivatives in DMSO: structure differentiation of peptide core due to chelate group attachment and biologically active conformation. Med.Chem., 1, 2005
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1YM5
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![BU of 1ym5 by Molmil](/molmil-images/mine/1ym5) | Crystal structure of YHI9, the yeast member of the phenazine biosynthesis PhzF enzyme superfamily. | Descriptor: | Hypothetical 32.6 kDa protein in DAP2-SLT2 intergenic region | Authors: | Liger, D, Quevillon-Cheruel, S, Sorel, I, Bremang, M, Blondeau, K, Aboulfath, I, Janin, J, Van Tilbeurgh, H, Leulliot, N, Paris-Sud Yeast Structural Genomics (YSG) | Deposit date: | 2005-01-20 | Release date: | 2005-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of YHI9, the yeast member of the phenazine biosynthesis PhzF enzyme superfamily Proteins, 60, 2005
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1YMT
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![BU of 1ymt by Molmil](/molmil-images/mine/1ymt) | Mouse SF-1 LBD | Descriptor: | 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, Nuclear receptor 0B2, Steroidogenic factor 1 | Authors: | Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, Juzumiene, D, Bynum, J.M, Fletterick, R.J, Willson, T.M, Ingraham, H.A. | Deposit date: | 2005-01-21 | Release date: | 2005-03-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1 Cell(Cambridge,Mass.), 120, 2005
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7CRO
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![BU of 7cro by Molmil](/molmil-images/mine/7cro) | NSD2 bearing E1099K/T1150A dual mutation in complex with 187-bp NCP | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | Deposit date: | 2020-08-14 | Release date: | 2020-10-21 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases. Nature, 590, 2021
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1YU5
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![BU of 1yu5 by Molmil](/molmil-images/mine/1yu5) | Crystal Structure of the Headpiece Domain of Chicken Villin | Descriptor: | Villin | Authors: | Meng, J, Vardar, D, Wang, Y, Guo, H.C, Head, J.F, McKnight, C.J. | Deposit date: | 2005-02-11 | Release date: | 2005-09-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High-resolution crystal structures of villin headpiece and mutants with reduced f-actin binding activity. Biochemistry, 44, 2005
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1YO1
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![BU of 1yo1 by Molmil](/molmil-images/mine/1yo1) | Proton Transfer from His200 in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, SULFATE ION, ZINC ION | Authors: | Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N. | Deposit date: | 2005-01-26 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Proton transfer in a Thr200His mutant of human carbonic anhydrase II Proteins, 61, 2005
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1YNQ
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![BU of 1ynq by Molmil](/molmil-images/mine/1ynq) | aldo-keto reductase AKR11C1 from Bacillus halodurans (holo form) | Descriptor: | GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | Authors: | Marquardt, T, Kostrewa, D, Winkler, F.K, Li, X.D. | Deposit date: | 2005-01-25 | Release date: | 2005-12-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-resolution Crystal Structure of AKR11C1 from Bacillus halodurans: An NADPH-dependent 4-Hydroxy-2,3-trans-nonenal Reductase J.Mol.Biol., 354, 2005
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1YOW
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![BU of 1yow by Molmil](/molmil-images/mine/1yow) | human Steroidogenic Factor 1 LBD with bound Co-factor Peptide | Descriptor: | PHOSPHATIDYL ETHANOL, Steroidogenic factor 1, TIF2 peptide | Authors: | Krylova, I.N, Sablin, E.P, Xu, R.X, Waitt, G.M, Juzumiene, D, Williams, J.D, Ingraham, H.A, Willson, T.M, Williams, S.P, Montana, V, Madauss, K.P, Moore, J, Bynum, J.M, Lebedeva, L, MacKay, J.A, Suzawa, M, Guy, R.K, Thornton, J.W. | Deposit date: | 2005-01-28 | Release date: | 2005-05-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1 Cell(Cambridge,Mass.), 120, 2005
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7CRR
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![BU of 7crr by Molmil](/molmil-images/mine/7crr) | Native NSD3 bound to 187-bp nucleosome | Descriptor: | DNA (168-MER), DNA(168-MER), Histone H2A, ... | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | Deposit date: | 2020-08-14 | Release date: | 2020-10-21 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases. Nature, 590, 2021
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1YQJ
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![BU of 1yqj by Molmil](/molmil-images/mine/1yqj) | Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor | Descriptor: | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE, Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Tamayo, N, Liao, H, Goldberg, M, Syed, R, Li, V, Powers, D, Tudor, Y, Yu, V, Wong, M.L, Henkle, B, Middelton, S, Harvey, T, Jang, G, Hungate, R, Dominguez, C. | Deposit date: | 2005-02-01 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase. Bioorg.Med.Chem.Lett., 15, 2005
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6TEW
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![BU of 6tew by Molmil](/molmil-images/mine/6tew) | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 27 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha' | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | Deposit date: | 2019-11-12 | Release date: | 2020-07-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.082 Å) | Cite: | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2. J.Med.Chem., 63, 2020
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