5M45
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![BU of 5m45 by Molmil](/molmil-images/mine/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
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![BU of 4o2p by Molmil](/molmil-images/mine/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
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![BU of 6ytz by Molmil](/molmil-images/mine/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
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![BU of 7b3e by Molmil](/molmil-images/mine/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
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![BU of 7ah3 by Molmil](/molmil-images/mine/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
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![BU of 7n1r by Molmil](/molmil-images/mine/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
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![BU of 7p6f by Molmil](/molmil-images/mine/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
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![BU of 8co4 by Molmil](/molmil-images/mine/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
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![BU of 8con by Molmil](/molmil-images/mine/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
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![BU of 2qo1 by Molmil](/molmil-images/mine/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
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![BU of 6ha5 by Molmil](/molmil-images/mine/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
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![BU of 6haq by Molmil](/molmil-images/mine/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
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![BU of 6h1z by Molmil](/molmil-images/mine/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
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![BU of 6ysb by Molmil](/molmil-images/mine/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
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![BU of 6yux by Molmil](/molmil-images/mine/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
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![BU of 1e9t by Molmil](/molmil-images/mine/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
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![BU of 2c52 by Molmil](/molmil-images/mine/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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![BU of 2obz by Molmil](/molmil-images/mine/2obz) | |
4D48
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![BU of 4d48 by Molmil](/molmil-images/mine/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
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![BU of 4d74 by Molmil](/molmil-images/mine/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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