4EH5
| Human p38 MAP kinase in complex with NP-F4 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, benzyl pyridine-3-carboxylate | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4H0E
| Crystal Structure of mutant ORR3 in complex with NTD of AraR | Descriptor: | 5'-D(*AP*AP*AP*TP*TP*TP*GP*TP*CP*CP*GP*TP*AP*CP*AP*TP*TP*TP*TP*AP*T)-3', 5'-D(*TP*AP*TP*AP*AP*AP*AP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*AP*AP*TP*T)-3', ACETATE ION, ... | Authors: | Nair, D.T, Jain, D. | Deposit date: | 2012-09-08 | Release date: | 2013-02-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Spacing between core recognition motifs determines relative orientation of AraR monomers on bipartite operators. Nucleic Acids Res., 41, 2013
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4H0J
| Mutant M58C of Nostoc sp Cytochrome c6 | Descriptor: | Cytochrome c6, HEME C | Authors: | Pannu, N.S, Skubak, P, Ubbink, M, Cavazzini, D, Rossi, G.L. | Deposit date: | 2012-09-08 | Release date: | 2013-09-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The dynamic complex of cytochrome c6 and cytochrome f studied with paramagnetic NMR spectroscopy Biochim.Biophys.Acta, 1837, 2014
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4EL4
| Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S/C165S double mutant | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, GLYCEROL, ... | Authors: | Stura, E.A, Vera, L, Ptchelkine, D, Dive, V. | Deposit date: | 2012-04-10 | Release date: | 2012-08-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165. J.Biol.Chem., 287, 2012
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1UBI
| SYNTHETIC STRUCTURAL AND BIOLOGICAL STUDIES OF THE UBIQUITIN SYSTEM. PART 1 | Descriptor: | UBIQUITIN | Authors: | Alexeev, D, Bury, S.M, Turner, M.A, Ogunjobi, O.M, Muir, T.W, Ramage, R, Sawyer, L. | Deposit date: | 1994-02-03 | Release date: | 1994-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthetic, structural and biological studies of the ubiquitin system: the total chemical synthesis of ubiquitin. Biochem.J., 299, 1994
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4J19
| Structure of a novel telomere repeat binding protein bound to DNA | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*TP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*A)-3'), ... | Authors: | Kappei, D, Butter, F, Benda, C, Scheibe, M, Draskovic, I, Stevense, M, Lopes Novo, C, Basquin, C, Krastev, D.B, Kittler, R, Jessberger, R, Londono-Vallejo, A.J, Mann, M, Buchholz, F. | Deposit date: | 2013-02-01 | Release date: | 2013-05-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | HOT1 is a mammalian direct telomere repeat-binding protein contributing to telomerase recruitment. Embo J., 32, 2013
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4EOI
| Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306 | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOP
| Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306 | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOM
| Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EP6
| Crystal structure of the XplA heme domain in complex with imidazole and PEG | Descriptor: | Cytochrome P450-like protein XplA, IMIDAZOLE, PENTAETHYLENE GLYCOL, ... | Authors: | Bui, S.H, McLean, K.J, Cheesman, M.R, Bradley, J.M, Rigby, S.E.J, Leys, D, Munro, A.W. | Deposit date: | 2012-04-17 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Unusual Spectroscopic and Ligand Binding Properties of the Cytochrome P450-Flavodoxin Fusion Enzyme XplA. J.Biol.Chem., 287, 2012
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4IY0
| Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Metal transporter CNNM2 | Authors: | Corral-Rodriguez, M.A, Stuiver, M, Encinar, J.A, Spiwok, V, Gomez-Garcia, I, Oyenarte, I, Ereno-Orbea, J, Terashima, H, Accardi, A, Diercks, T, Muller, D, Martinez-Cruz, L.A. | Deposit date: | 2013-01-28 | Release date: | 2014-03-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 To be Published
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4EEL
| Crystal structure of HAD FAMILY HYDROLASE DR_1622 from Deinococcus radiodurans R1 (TARGET EFI-501256) with bound citrate and sodium | Descriptor: | Beta-phosphoglucomutase-related protein, CITRIC ACID, SODIUM ION | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-03-28 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of HAD HYDROLASE DR_1622 Deinococcus radiodurans R1 (TARGET EFI-501256) To be Published
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4J2Y
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4J4Y
| Triple mutant GraVN | Descriptor: | NP protein | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | Deposit date: | 2013-02-07 | Release date: | 2013-06-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential J.Virol., 87, 2013
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4CGE
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4J4U
| Pentamer SFTSVN | Descriptor: | Nucleocapsid protein | Authors: | Jiao, L, Ouyang, S, Liang, M, Niu, F, Shaw, N, Wu, W, Ding, W, Jin, C, Zhu, Y, Zhang, F, Wang, T, Li, C, Zuo, X, Luan, C.H, Li, D, Liu, Z.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Structure of severe Fever with thrombocytopenia syndrome virus nucleocapsid protein in complex with suramin reveals therapeutic potential J.Virol., 87, 2013
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4IZB
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4CJO
| Spectroscopically-validated structure of ferrous cytochrome c prime from Alcaligenes xylosoxidans, reduced at 180K using X-rays | Descriptor: | CYTOCHROME C', HEME C | Authors: | Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A. | Deposit date: | 2013-12-21 | Release date: | 2014-05-21 | Last modified: | 2020-03-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy. Acta Crystallogr.,Sect.D, 70, 2014
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4CWN
| Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4JCM
| Crystal structure of Gamma-CGTASE from Alkalophilic bacillus clarkii at 1.65 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wu, L, Yang, D, Zhou, J, Wu, J, Chen, J. | Deposit date: | 2013-02-22 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The Crystal Structure of Gamma-Cgtase from Alkalophilic Bacillus Clarkii at 1.65 Angstrom Resolution. To be Published
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4CG4
| Crystal structure of the CHS-B30.2 domains of TRIM20 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, PYRIN, ... | Authors: | Weinert, C, Morger, D, Djekic, A, Mittl, P.R.E, Gruetter, M.G. | Deposit date: | 2013-11-20 | Release date: | 2015-04-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Trim20 C-Terminal Coiled-Coil/B30.2 Fragment: Implications for the Recognition of Higher Order Oligomers Sci.Rep., 5, 2015
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4JEI
| Nonglycosylated Yarrowia lipolytica LIP2 lipase | Descriptor: | Lipase 2 | Authors: | Aloulou, A, Benarouche, A, Puccinelli, D, Spinelli, S, Cavalier, J.-F, Cambillau, C, Carriere, F. | Deposit date: | 2013-02-27 | Release date: | 2013-03-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Biochemical and structural characterization of non-glycosylated Yarrowia lipolytica LIP2 lipase To be published
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4CMM
| Structure of human CD47 in complex with human Signal Regulatory Protein (SIRP) alpha v1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LEUKOCYTE SURFACE ANTIGEN CD47, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE SUBSTRATE 1 | Authors: | Hatherley, D, Lea, S.M, Johnson, S, Barclay, A.N. | Deposit date: | 2014-01-16 | Release date: | 2014-02-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Polymorphisms in the Human Inhibitory Signal-Regulatory Protein Alpha Do not Affect Binding to its Ligand Cd47. J.Biol.Chem., 289, 2014
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4CYL
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4CUF
| Human Notch1 EGF domains 11-13 mutant T466S | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | Authors: | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | Deposit date: | 2014-03-18 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands. Proc.Natl.Acad.Sci.USA, 111, 2014
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