5OSZ
| The crystal structure of CK2alpha in complex with compound 23 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]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: | 2017-08-18 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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7NKV
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6Q46
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3TIV
| Crystal structure of subunit B mutant N157A of the A1AO ATP synthase | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, ... | Authors: | Tadwal, V.S, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G. | Deposit date: | 2011-08-22 | Release date: | 2012-09-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of subunit A mutants H156A, N157A and N157T of the A1AO ATP synthase To be Published
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5OT6
| The crystal structure of CK2alpha in complex with compound 19 | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]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: | 2017-08-21 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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2XR4
| C-terminal domain of BC2L-C Lectin from Burkholderia cenocepacia | Descriptor: | LECTIN, SULFATE ION | Authors: | Sulak, O, Cioci, G, Lameignere, E, Delia, M, Wimmerova, M, Imberty, A. | Deposit date: | 2010-09-09 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Burkholderia Cenocepacia Bc2L-C is a Super Lectin with Dual Specificity and Proinflammatory Activity. Plos Pathog., 7, 2011
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5OTL
| The crystal structure of CK2alpha in complex with compound 29 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... | 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: | 2018-02-28 | 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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2XS3
| Structure of karilysin catalytic MMP domain | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, KARILYSIN PROTEASE, PEPTIDE ALA-PHE-THR-SER, ... | Authors: | Cerda-Costa, N, Guevara, T, Karim, A.Y, Ksiazek, M, Nguyen, K.-A, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2010-09-24 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases. Mol.Microbiol., 79, 2011
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6Q4M
| Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, PHOSPHATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Gundogdu, M, van Aalten, D.M.F. | Deposit date: | 2018-12-06 | Release date: | 2019-12-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the O-GlcNAc transferase Asn648Tyr mutation To Be Published
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5D25
| First bromodomain of BRD4 bound to inhibitor XD27 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... | Authors: | Wohlwend, D, Huegle, M, Gerhardt, S. | Deposit date: | 2015-08-05 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5OUM
| The crystal structure of CK2alpha in complex with compound 21 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine | 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 (2.05 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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6Q56
| Crystal structure of the B. subtilis M1A22 tRNA methyltransferase TrmK | Descriptor: | NICKEL (II) ION, tRNA (adenine(22)-N(1))-methyltransferase | Authors: | Degut, C, Roovers, M, Barraud, P, Brachet, F, Feller, A, Larue, V, Al Refaii, A, Caillet, J, Droogmans, L, Tisne, C. | Deposit date: | 2018-12-07 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of B. subtilis m1A22 tRNA methyltransferase TrmK: insights into tRNA recognition. Nucleic Acids Res., 47, 2019
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5UQU
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5NGT
| Crystal structure of human MTH1 in complex with inhibitor 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine, SULFATE ION | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | Deposit date: | 2017-03-20 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. J. Med. Chem., 60, 2017
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6Q6U
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3PPT
| REP1-NXSQ fatty acid transporter | Descriptor: | PALMITOLEIC ACID, ReP1-NCXSQ | Authors: | Berberian, G, Bollo, M, Howard, E, Cousido-Siah, A, Mitschler, A, Ayoub, D, Sanglier-Cianferani, S, Van Dorsselaer, A, DiPolo, R, Beauge, L, Petrova, T, Schulze-Briese, C, Wang, M, Podjarny, A. | Deposit date: | 2010-11-25 | Release date: | 2011-12-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structural and functional studies of ReP1-NCXSQ, a protein regulating the squid nerve Na+/Ca2+ exchanger. Acta Crystallogr.,Sect.D, 68, 2012
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6Q6Z
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2O63
| Crystal structure of Pim1 with Myricetin | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Holder, S, Zemskova, M, Zhang, C, Tabrizizad, M, Bremer, R, Neidigh, J.W, Lilly, M.B. | Deposit date: | 2006-12-06 | Release date: | 2007-02-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of a potent and selective small-molecule inhibitor of the PIM1 kinase. Mol.Cancer Ther., 6, 2007
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6Q82
| Crystal structure of the biportin Pdr6 in complex with RanGTP | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, Importin beta-like protein KAP122, ... | Authors: | Aksu, M, Vera-Rodriguez, A, Trakhanov, S, Gorlich, D. | Deposit date: | 2018-12-14 | Release date: | 2019-05-01 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.994 Å) | Cite: | Structural basis for the nuclear import and export functions of the biportin Pdr6/Kap122. J.Cell Biol., 218, 2019
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6QBP
| structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203D | Descriptor: | Cell wall assembly regulator SMI1 | Authors: | Ramos, N, Batista, M, Francois, J.M, Mourey, L, Maveyraud, L, Zerbib, D. | Deposit date: | 2018-12-21 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | structure of the core domaine of Knr4, an intrinsically disordered protein from Saccharomyces cerevisiae - mutant S203D To Be Published
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2O8J
| Human euchromatic histone methyltransferase 2 | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Min, J, Wu, H, Antoshenko, T, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-12 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural biology of human H3K9 methyltransferases Plos One, 5, 2010
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1IA1
| Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE (GW997) | Descriptor: | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Whitlow, M, Howard, A.J, Kuyper, L.F. | Deposit date: | 2001-03-22 | Release date: | 2001-04-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray Crystal Structures of Candida albicans Dihydrofolate Reductase: High Resolution Ternary Complexes in Which the Dihydronicotinamide Moiety of NADPH is Displaced by an inhibitor J.Med.Chem., 44, 2001
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5NNN
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6QGC
| PETase from Ideonella sakaiensis without ligand | Descriptor: | CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SULFATE ION | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | Deposit date: | 2019-01-10 | Release date: | 2019-04-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate. Nat Commun, 10, 2019
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6CIA
| Crystal structure of aldo-keto reductase from Klebsiella pneumoniae in complex with NADPH. | Descriptor: | Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lipowska, J, Leung, E.S, Shabalin, I.G, Grabowski, M, Almo, S.C, Satchell, K.J, Joachimiak, A, Lewinski, K, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-02-23 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of of aldo-keto reductase from Klebsiella pneumoniae in complex with NADPH. to be published
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