4OZN
 
 | | GlnK2 from Haloferax mediterranei complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II, SULFATE ION | | Authors: | Palanca, C, Pedro-Roig, L, Llacer, J.L, Camacho, M, Bonete, M.J, Rubio, V. | | Deposit date: | 2014-02-17 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of a PII signaling protein from a halophilic archaeon reveals novel traits and high-salt adaptations.
Febs J., 281, 2014
|
|
3HH4
 | | New azaborine compounds bind to the T4 lysozyme L99A cavity - Benzene as control | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, BENZENE, Lysozyme, ... | | Authors: | Liu, L, Matthews, B.W. | | Deposit date: | 2009-05-14 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme.
Angew.Chem.Int.Ed.Engl., 48, 2009
|
|
3HHV
 | | The crystal structure of the Thioredoxin A2 from Sulfolobus solfataricus | | Descriptor: | Thioredoxin (TrxA-2) | | Authors: | Ruggiero, A, Masullo, M, Ruocco, M.R, Arcari, P, Zagari, A, Vitagliano, L. | | Deposit date: | 2009-05-18 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The dimeric structure of Sulfolobus solfataricus thioredoxin A2 and the basis of its thermostability
Proteins, 77, 2009
|
|
4O6F
 | | Structural Basis of Estrogen Receptor Alpha Methylation Mediated by Histone Methyltransferase SmyD2 | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Estrogen receptor, N-lysine methyltransferase SMYD2, ... | | Authors: | Jiang, Y, Trescott, L, Holcomb, J, Brunzelle, J, Sirinupong, N, Shi, X, Yang, Z. | | Deposit date: | 2013-12-20 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.822 Å) | | Cite: | Structural Insights into Estrogen Receptor alpha Methylation by Histone Methyltransferase SMYD2, a Cellular Event Implicated in Estrogen Signaling Regulation.
J.Mol.Biol., 426, 2014
|
|
2XC5
 | | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | | Descriptor: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | | Deposit date: | 2010-04-16 | | Release date: | 2010-08-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
|
|
2XIG
 | | The structure of the Helicobacter pylori ferric uptake regulator Fur reveals three functional metal binding sites | | Descriptor: | CITRIC ACID, FERRIC UPTAKE REGULATION PROTEIN, ZINC ION | | Authors: | Dian, C, Vitale, S, Leonard, G.A, Fauquant, F, Muller, C, Bahlawane, C, de Reuse, H, Michaud-Soret, I, Terradot, L. | | Deposit date: | 2010-06-29 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Structure of the Helicobacter Pylori Ferric Uptake Regulator Fur Reveals Three Functional Metal Binding Sites.
Mol.Microbiol., 79, 2011
|
|
3HJH
 | | A rigid N-terminal clamp restrains the motor domains of the bacterial transcription-repair coupling factor | | Descriptor: | COBALT (II) ION, Transcription-repair-coupling factor | | Authors: | Murphy, M, Gong, P, Ralto, K, Manelyte, L, Savery, N, Theis, K. | | Deposit date: | 2009-05-21 | | Release date: | 2009-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | An N-terminal clamp restrains the motor domains of the bacterial transcription-repair coupling factor Mfd.
Nucleic Acids Res., 37, 2009
|
|
2Y1X
 | | CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR | | Descriptor: | CHLORIDE ION, HISTONE-ARGININE METHYLTRANSFERASE CARM1, N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE, ... | | Authors: | Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A. | | Deposit date: | 2010-12-10 | | Release date: | 2011-03-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors
Biochem.J., 436, 2011
|
|
4OC1
 | | X-ray structure of of human glutamate carboxypeptidase II (GCPII) in a complex with COIBzL, a urea-based inhibitor (2S)-2-[({(1S)-1-carboxy-2-[(2S)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid | | Descriptor: | (2S)-2-[({(1S)-1-carboxy-2-[(2S)-oxiran-2-yl]ethyl}carbamoyl)amino]-6-[(4-iodobenzoyl)amino]hexanoic acid (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pavlicek, J, Ptacek, J, Cerny, J, Byun, Y, Skultetyova, L, Pomper, M, Lubkowski, J, Barinka, C. | | Deposit date: | 2014-01-08 | | Release date: | 2014-05-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural characterization of P1'-diversified urea-based inhibitors of glutamate carboxypeptidase II.
Bioorg.Med.Chem.Lett., 24, 2014
|
|
3HH5
 | | New azaborine compounds bind to the T4 lysozyme L99A cavity - 1-ethyl-2-hydro-1,2-azaborine | | Descriptor: | 1-ethyl-1,2-dihydro-1,2-azaborinine, 2-HYDROXYETHYL DISULFIDE, Lysozyme, ... | | Authors: | Liu, L, Matthews, B.W. | | Deposit date: | 2009-05-14 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme.
Angew.Chem.Int.Ed.Engl., 48, 2009
|
|
3HFV
 | | Crystal structure of human mitochondrial phenylalanyl-tRNA synthetase complexed with m-tyrosine | | Descriptor: | META-TYROSINE, Phenylalanyl-tRNA synthetase, mitochondrial | | Authors: | Klipcan, L, Moor, N, Kessler, N, Safro, M.G. | | Deposit date: | 2009-05-12 | | Release date: | 2009-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Eukaryotic cytosolic and mitochondrial phenylalanyl-tRNA synthetases catalyze the charging of tRNA with the meta-tyrosine
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3HGK
 | | crystal structure of effect protein AvrptoB complexed with kinase Pto | | Descriptor: | Effector protein hopAB2, Protein kinase | | Authors: | Dong, J, Fan, F, Gu, L, Chai, J. | | Deposit date: | 2009-05-14 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal Structure of the Complex between Pseudomonas Effector AvrPtoB and the Tomato Pto Kinase Reveals Both a Shared and a Unique Interface Compared with AvrPto-Pto
Plant Cell, 21, 2009
|
|
2XTB
 | | Crystal Structure of Trypanosoma brucei rhodesiense Adenosine Kinase Complexed with Activator | | Descriptor: | 4-[5-(4-PHENOXYPHENYL)-1H-PYRAZOL-3-YL]MORPHOLINE, ADENOSINE KINASE | | Authors: | Kuettel, S, Greenwald, J, Kostrewa, D, Ahmed, S, Scapozza, L, Perozzo, R. | | Deposit date: | 2010-10-05 | | Release date: | 2011-06-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of T. B. Rhodesiense Adenosine Kinase Complexed with Inhibitor and Activator: Implications for Catalysis and Hyperactivation.
Plos Negl Trop Dis, 5, 2011
|
|
4OWC
 | | PtI6 binding to HEWL | | Descriptor: | CHLORIDE ION, IODIDE ION, Lysozyme C, ... | | Authors: | Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R. | | Deposit date: | 2014-01-31 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15.
Acta Crystallogr.,Sect.F, 70, 2014
|
|
2XRH
 | | Crystal structure of the truncated form of HP0721 | | Descriptor: | NICOTINIC ACID, PROTEIN HP0721 | | Authors: | Cioci, G, Terradot, L, Dian, C, Muller-Dieckmann, C, Leonard, G. | | Deposit date: | 2010-09-15 | | Release date: | 2011-09-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Hp0721, a Novel Secreted Protein from Helicobacter Pylori.
Proteins, 79, 2011
|
|
3HFZ
 | | Crystal structure of Thermus thermophilus Phenylalanyl-tRNA synthetase complexed with m-tyrosine | | Descriptor: | META-TYROSINE, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain | | Authors: | Klipcan, L, Moor, N, Kessler, N, Safro, M.G. | | Deposit date: | 2009-05-13 | | Release date: | 2009-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Eukaryotic cytosolic and mitochondrial phenylalanyl-tRNA synthetases catalyze the charging of tRNA with the meta-tyrosine
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
3HH6
 | | New azaborine compounds bind to the T4 lysozyme L99A cavity -ethylbenzene as control | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, Lysozyme, PHENYLETHANE, ... | | Authors: | Liu, L, Matthews, B.W. | | Deposit date: | 2009-05-14 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme.
Angew.Chem.Int.Ed.Engl., 48, 2009
|
|
4OZJ
 | | GlnK2 from Haloferax mediterranei complexed with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nitrogen regulatory protein P-II | | Authors: | Palanca, C, Pedro-Roig, L, Llacer, J.L, Camacho, M, Bonete, M.J, Rubio, V. | | Deposit date: | 2014-02-17 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The structure of a PII signaling protein from a halophilic archaeon reveals novel traits and high-salt adaptations.
Febs J., 281, 2014
|
|
2Y6K
 | | Xylotetraose bound to X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | | Descriptor: | CALCIUM ION, CITRIC ACID, XYLANASE, ... | | Authors: | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | | Deposit date: | 2011-01-24 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
|
|
4OZQ
 | | Crystal structure of the mouse Kif14 motor domain | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Chimera of Maltose-binding periplasmic protein and Kinesin family member 14 protein | | Authors: | Arora, K, Talje, L, Asenjo, A.B, Andersen, P, Atchia, K, Joshi, M, Sosa, H, Kwok, B.H, Allingham, J.S. | | Deposit date: | 2014-02-18 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | KIF14 binds tightly to microtubules and adopts a rigor-like conformation.
J.Mol.Biol., 426, 2014
|
|
2YLA
 | | INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-06-01 | | Release date: | 2011-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
|
|
3HF1
 | | Crystal structure of human p53R2 | | Descriptor: | FE (III) ION, Ribonucleoside-diphosphate reductase subunit M2 B, SULFATE ION | | Authors: | Smith, P, Zhou, B, Yuan, Y.-C, Su, L, Tsai, S.-C, Yen, Y. | | Deposit date: | 2009-05-10 | | Release date: | 2009-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 2.6 A X-ray crystal structure of human p53R2, a p53-inducible ribonucleotide reductase .
Biochemistry, 48, 2009
|
|
3HJJ
 | | Crystal Structure of Maltose O-acetyltransferase from Bacillus anthracis | | Descriptor: | ACETIC ACID, GLYCEROL, Maltose O-acetyltransferase, ... | | Authors: | Kim, Y, Maltseva, N, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-05-21 | | Release date: | 2009-06-02 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.153 Å) | | Cite: | Crystal Structure of Maltose O-acetyltransferase from Bacillus anthracis
To be Published
|
|
2Y7Z
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | | Descriptor: | 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | | Deposit date: | 2011-02-02 | | Release date: | 2011-03-16 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
3HIB
 | |
