2FPO
| Putative methyltransferase yhhF from Escherichia coli. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, methylase yhhF | Authors: | Osipiuk, J, Kim, Y, Sanishvili, R, Skarina, T, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-01-16 | Release date: | 2006-02-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Methyltransferase that modifies guanine 966 of the 16 S rRNA: functional identification and tertiary structure. J.Biol.Chem., 282, 2007
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2FWQ
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2D4U
| Crystal Structure of the ligand binding domain of the bacterial serine chemoreceptor Tsr | Descriptor: | Methyl-accepting chemotaxis protein I | Authors: | Imada, K, Tajima, H, Namba, K, Sakuma, M, Homma, M, Kawagishi, I. | Deposit date: | 2005-10-24 | Release date: | 2006-11-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ligand specificity determined by differentially arranged common ligand-binding residues in the bacterial amino acid chemoreceptors Tsr and Tar. J.Biol.Chem., 2011
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2GA4
| Stx2 with adenine | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ADENINE, ... | Authors: | Fraser, M.E. | Deposit date: | 2006-03-07 | Release date: | 2006-07-11 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding of adenine to Stx2, the protein toxin from Escherichia coli O157:H7. Acta Crystallogr.,Sect.F, 62, 2006
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2FTL
| Crystal structure of trypsin complexed with BPTI at 100K | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | Authors: | Hanson, W.M, Horvath, M.P, Goldenberg, D.P. | Deposit date: | 2006-01-24 | Release date: | 2006-02-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Rigidification of a Flexible Protease Inhibitor Variant upon Binding to Trypsin. J.Mol.Biol., 366, 2007
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2FUV
| Phosphoglucomutase from Salmonella typhimurium. | Descriptor: | MAGNESIUM ION, phosphoglucomutase | Authors: | Osipiuk, J, Wu, R, Holzle, D, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-01-27 | Release date: | 2006-03-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray crystal structure of phosphoglucomutase from Salmonella typhimurium. To be Published
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2FZU
| Reduced enolate chromophore intermediate for GFP variant | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein, MAGNESIUM ION | Authors: | Barondeau, D.P, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2006-02-10 | Release date: | 2006-03-14 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural evidence for an enolate intermediate in GFP fluorophore biosynthesis. J.Am.Chem.Soc., 128, 2006
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2G5P
| Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac | Descriptor: | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID, Dipeptidyl peptidase 4 | Authors: | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | Deposit date: | 2006-02-23 | Release date: | 2006-07-04 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors. J.Med.Chem., 49, 2006
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2G63
| Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 24b | Descriptor: | Dipeptidyl peptidase 4, METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | Authors: | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | Deposit date: | 2006-02-24 | Release date: | 2006-07-04 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors. J.Med.Chem., 49, 2006
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2FX3
| Crystal Structure Determination of E. coli Elongation Factor, Tu using a Twinned Data Set | Descriptor: | Elongation factor Tu, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Heffron, S.E, Moeller, R, Jurnak, F. | Deposit date: | 2006-02-03 | Release date: | 2006-03-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Solving the structure of Escherichia coli elongation factor Tu using a twinned data set. Acta Crystallogr.,Sect.D, 62, 2006
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2G4C
| Crystal Structure of human DNA polymerase gamma accessory subunit | Descriptor: | DNA polymerase gamma subunit 2 | Authors: | Fan, L, Farr, C.L, Kaguni, L.S, Tainer, J.A. | Deposit date: | 2006-02-22 | Release date: | 2006-04-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | A novel processive mechanism for DNA synthesis revealed by structure, modeling and mutagenesis of the accessory subunit of human mitochondrial DNA polymerase J.Mol.Biol., 358, 2006
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2J6R
| FaeG from F4ac ETEC strain GIS26, produced in tobacco plant chloroplast | Descriptor: | K88 FIMBRIAL PROTEIN, PHOSPHATE ION | Authors: | Van Molle, I, Joensuu, J.J, Buts, L, Panjikar, S, Kotiaho, M, Bouckaert, J, Wyns, L, Niklander-Teeri, V, De Greve, H. | Deposit date: | 2006-10-03 | Release date: | 2007-04-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Chloroplasts Assemble the Major Subunit Faeg of Escherichia Coli F4 (K88) Fimbriae Into Strand-Swapped Dimers J.Mol.Biol., 368, 2007
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2J6W
| R164N mutant of the RUNX1 Runt domain | Descriptor: | CHLORIDE ION, RUNT-RELATED TRANSCRIPTION FACTOR 1 | Authors: | Grembecka, J, Zhe, L, Lukasik, S.M, Liu, Y, Bielnicka, I, Bushweller, J.H, Speck, N.A. | Deposit date: | 2006-10-04 | Release date: | 2007-10-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Mutation in the S-Switch Region of the Runt Domain Alters the Dynamics of an Allosteric Network Responsible for Cbfbeta Regulation. J.Mol.Biol., 364, 2006
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4US6
| New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels | Descriptor: | CALCIUM ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Gavira, J.A, Conejero-Muriel, M, Diaz-Mochon, J.J, Alvarez de Cienfuegos, L. | Deposit date: | 2014-07-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Influence of the Chirality of Short Peptide Supramolecular Hydrogels in Protein Crystallogenesis. Chem.Commun.(Camb.), 51, 2015
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6DWJ
| SAMHD1 Bound to Vidarabine-TP in the Catalytic Pocket | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DPX
| X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid, Beta-lactamase | Authors: | Singh, I. | Deposit date: | 2018-06-09 | Release date: | 2018-07-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ultra-large library docking for discovering new chemotypes. Nature, 566, 2019
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6DEU
| Human caspase-6 A109T | Descriptor: | Caspase-6 | Authors: | Tubeleviciute-Aydin, A, Beautrait, A, Lynham, J, Sharma, G, Gorelik, A, Deny, L.J, Soya, N, Lukacs, G.L, Nagar, B, Marinier, A, LeBlanc, A.C. | Deposit date: | 2018-05-13 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.796 Å) | Cite: | Identification of Allosteric Inhibitors against Active Caspase-6. Sci Rep, 9, 2019
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6DUP
| CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH COMPOUND 7 | Descriptor: | (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one, Nuclear receptor subfamily 1 group I member 2 | Authors: | Chen, X, Zhang, Y, Mclean, L.R. | Deposit date: | 2018-06-21 | Release date: | 2018-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Amelioration of PXR-mediated CYP3A4 induction by mGluR2 modulators. Bioorg. Med. Chem. Lett., 28, 2018
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6DWU
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6DN2
| CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1354 SPLIT RNA | Descriptor: | 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T. | Deposit date: | 2018-06-05 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch. ACS Chem. Biol., 13, 2018
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2IOH
| Crystal structure of phosphonoacetaldehyde hydrolase with a K53R mutation | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase | Authors: | Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Peisach, E. | Deposit date: | 2006-10-10 | Release date: | 2007-08-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage. Bioorg.Chem., 34, 2006
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6DWD
| SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7YXV
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6D6Z
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6D78
| The complex between high-affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(27-35)peptide | Descriptor: | Beta-2-microglobulin, DMF5 alpha chain,DMF5 alpha chain, DMF5 beta chain,DMF5 beta chain, ... | Authors: | Hellman, L.M, Singh, N.K. | Deposit date: | 2018-04-24 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.347 Å) | Cite: | Improving T Cell Receptor On-Target Specificity via Structure-Guided Design. Mol. Ther., 27, 2019
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