5M45
 
 | | Structure of Acetone Carboxylase purified from Xanthobacter autotrophicus | | Descriptor: | 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Kabasakal, B.V, Wells, J.N, Nwaobi, B.C, Eilers, B.J, Peters, J.W, Murray, J.W. | | Deposit date: | 2016-10-18 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation.
Sci Rep, 7, 2017
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4O2P
 | | Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine | | Descriptor: | 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Richters, A, Rauh, D. | | Deposit date: | 2013-12-17 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Combining X-ray Crystallography and Molecular Modeling toward the Optimization of Pyrazolo[3,4-d]pyrimidines as Potent c-Src Inhibitors Active in Vivo against Neuroblastoma.
J.Med.Chem., 58, 2015
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6YTZ
 | | Crystal structure of Malus domestica Double Bond Reductase (MdDBR) in complex with NADPH | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Double Bond Reductase, ... | | Authors: | Caliandro, R, Polsinelli, I, Demitri, N, Benini, S. | | Deposit date: | 2020-04-25 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates.
Int.J.Biol.Macromol., 171, 2021
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7B3E
 | | Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ... | | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | | Deposit date: | 2020-11-30 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.
Acs Pharmacol Transl Sci, 4, 2021
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7AH3
 | | Kinase domain of cSrc in complex with a pyrazolopyrimidine | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Dello Iacono, L, Kleinboelting, S, Fallacara, A.L, Rauh, D. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Insights into the binding of pyrazolopyrimidines to Src kinase
To Be Published
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7N1R
 | | A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP | | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ... | | Authors: | Yang, J, Musayev, F, Liu, Q. | | Deposit date: | 2021-05-28 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP).
Protein Sci., 31, 2022
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7P6F
 | | 1.93 A resolution X-ray crystal structure of the transcriptional regulator SrnR from Streptomyces griseus | | Descriptor: | ACETATE ION, SODIUM ION, Transcriptional regulator SrnR | | Authors: | Mazzei, L, Ciurli, S. | | Deposit date: | 2021-07-16 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure, dynamics, and function of SrnR, a transcription factor for nickel-dependent gene expression.
Metallomics, 13, 2021
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8CO4
 | | Crystal structure of apo S-nitrosoglutathione reductase from Arabidopsis thalina | | Descriptor: | 1,2-ETHANEDIOL, Alcohol dehydrogenase class-3, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fermani, S, Fanti, S, Carloni, G, Rossi, J, Falini, G, Zaffagnini, M. | | Deposit date: | 2023-02-27 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and biochemical characterization of Arabidopsis alcohol dehydrogenases reveals distinct functional properties but similar redox sensitivity.
Plant J., 118, 2024
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8CON
 | | Crystal structure of alcohol dehydrogenase from Arabidopsis thaliana in complex with NADH | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase class-P, ... | | Authors: | Fermani, S, Fanti, S, Carloni, G, Falini, G, Meloni, M, Zaffagnini, M. | | Deposit date: | 2023-02-28 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical characterization of Arabidopsis alcohol dehydrogenases reveals distinct functional properties but similar redox sensitivity.
Plant J., 118, 2024
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2QO1
 | | 2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH. | | Descriptor: | 11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-07-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
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6HA5
 | | AFGH61B L90V/D131S/M134L/A141W VARIANT | | Descriptor: | ACETATE ION, COPPER (II) ION, Endoglucanase, ... | | Authors: | Lo Leggio, L, Poulsen, J.C.N. | | Deposit date: | 2018-08-07 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant.
Carbohydr. Res., 469, 2018
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6HAQ
 | | AFGH61B WILD-TYPE COPPER LOADED | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (II) ION, ... | | Authors: | Lo Leggio, L, Poulsen, J.C.N, Weihe, C.D. | | Deposit date: | 2018-08-08 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant.
Carbohydr. Res., 469, 2018
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6H1Z
 | | AFGH61B WILD-TYPE | | Descriptor: | ACETATE ION, COPPER (II) ION, Endoglucanase, ... | | Authors: | Lo Leggio, L, Poulsen, J.C.N. | | Deposit date: | 2018-07-12 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant.
Carbohydr. Res., 469, 2018
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6YSB
 | | Crystal structure of Malus domestica Double Bond Reductase (MdDBR) apo form | | Descriptor: | 2-alkenal reductase (NADP(+)-dependent)-like, SULFATE ION | | Authors: | Caliandro, R, Polsinelli, I, Demitri, N, Benini, S. | | Deposit date: | 2020-04-21 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates.
Int.J.Biol.Macromol., 171, 2021
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6YUX
 | | Crystal structure of Malus domestica Double Bond Reductase (MdDBR) ternary complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | | Authors: | Caliandro, R, Polsinelli, I, Demitri, N, Benini, S. | | Deposit date: | 2020-04-27 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates.
Int.J.Biol.Macromol., 171, 2021
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1E9T
 | | High resolution solution structure of human intestinal trefoil factor | | Descriptor: | INTESTINAL TREFOIL FACTOR | | Authors: | Lemercinier, X, Muskett, F, Cheeseman, B, McIntosh, P, Carr, M. | | Deposit date: | 2000-10-26 | | Release date: | 2000-12-08 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | High-Resolution Solution Structure of Human Intestinal Trefoil Factor and Functional Insights from Detailed Structural Comparisons with the Other Members of the Trefoil Family of Mammalian Cell Motility Factors
Biochemistry, 40, 2001
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2C52
 | | Structural diversity in CBP p160 complexes | | Descriptor: | CREB-BINDING PROTEIN, NUCLEAR RECEPTOR COACTIVATOR 1 | | Authors: | Waters, L.C, Yue, B, Veverka, V, Renshaw, P.S, Bramham, J, Matsuda, S, Frenkiel, T, Kelly, G, Muskett, F.W, Carr, M.D, Heery, D.M. | | Deposit date: | 2005-10-25 | | Release date: | 2006-03-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural diversity in p160/CREB-binding protein coactivator complexes.
J. Biol. Chem., 281, 2006
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2OBZ
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4D48
 | | Crystal Structure of glucose-1-phosphate uridylyltransferase GalU from Erwinia amylovora. | | Descriptor: | GLUCOSE-1-PHOSPHATE URIDYLYLTRANSFERASE | | Authors: | Toccafondi, M, Wuerges, J, Cianci, M, Benini, S. | | Deposit date: | 2014-10-27 | | Release date: | 2016-01-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Glucose-1-phosphate uridylyltransferase from Erwinia amylovora: Activity, structure and substrate specificity.
Biochim. Biophys. Acta, 1865, 2017
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4D74
 | | 1.57 A crystal structure of erwinia amylovora tyrosine phosphatase amsI | | Descriptor: | PROTEIN-TYROSINE-PHOSPHATASE AMSI, SULFATE ION | | Authors: | Benini, S, Salomone-Stagni, M, Caputi, L, Cianci, M. | | Deposit date: | 2014-11-19 | | Release date: | 2016-01-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Characterization and 1.57 A Resolution Structure of the Key Fire Blight Phosphatase Amsi from Erwinia Amylovora
Acta Crystallogr.,Sect.F, 72, 2016
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