5T7L
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![BU of 5t7l by Molmil](/molmil-images/mine/5t7l) | Pt(II)-mediated copper-dependent interactions between ATOX1 and MNK1 | Descriptor: | COPPER (II) ION, Copper transport protein ATOX1, Copper-transporting ATPase 1, ... | Authors: | Caliandro, R, Mirabelli, V, Caliandro, R, Rosato, A, Lasorsa, A, Galliani, A, Arnesano, F, Natile, G. | Deposit date: | 2016-09-05 | Release date: | 2016-10-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Mechanistic and Structural Basis for Inhibition of Copper Trafficking by Platinum Anticancer Drugs. J.Am.Chem.Soc., 141, 2019
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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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5NAU
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![BU of 5nau by Molmil](/molmil-images/mine/5nau) | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like compound 20 | Descriptor: | (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | Deposit date: | 2017-02-28 | Release date: | 2018-05-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues. J Enzyme Inhib Med Chem, 33, 2018
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7T8I
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![BU of 7t8i by Molmil](/molmil-images/mine/7t8i) | |
5NUU
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![BU of 5nuu by Molmil](/molmil-images/mine/5nuu) | Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor | Descriptor: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | Deposit date: | 2017-05-02 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur.J.Med.Chem., 168, 2019
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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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5NAP
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![BU of 5nap by Molmil](/molmil-images/mine/5nap) | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17 | Descriptor: | (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | Deposit date: | 2017-02-28 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues. J Enzyme Inhib Med Chem, 33, 2018
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6QUK
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![BU of 6quk by Molmil](/molmil-images/mine/6quk) | Protein crystallization by ionic liquid hydrogel support: glucose isomerase grown by using ionic liquid hydrogel | Descriptor: | GLYCEROL, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Belviso, B.D, Caliandro, R, Caliandro, R. | Deposit date: | 2019-02-27 | Release date: | 2019-03-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes Crystals, 9, 2019
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6QUF
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![BU of 6quf by Molmil](/molmil-images/mine/6quf) | Protein crystallization by ionic liquid hydrogel support: reference crystal of glucose isomerase grown on standard silanized glass | Descriptor: | GLYCEROL, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Belviso, B.D, Caliandro, R, Caliandro, R. | Deposit date: | 2019-02-27 | Release date: | 2019-03-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes Crystals, 9, 2019
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7ZC3
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![BU of 7zc3 by Molmil](/molmil-images/mine/7zc3) | Crystal structure of human copper chaperone Atox1 bound to zinc ion by CxxC motif | Descriptor: | Copper transport protein ATOX1, SULFATE ION, ZINC ION | Authors: | Mangini, V, Belviso, B.D, Arnesano, F, Caliandro, R. | Deposit date: | 2022-03-25 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Human Copper Chaperone ATOX1 Bound to Zinc Ion. Biomolecules, 12, 2022
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7OBF
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5H6Z
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![BU of 5h6z by Molmil](/molmil-images/mine/5h6z) | Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe | Descriptor: | AMMONIUM ION, DI(HYDROXYETHYL)ETHER, SET domain-containing protein 7, ... | Authors: | Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E. | Deposit date: | 2016-11-15 | Release date: | 2017-11-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis. Structure, 27, 2019
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5WW0
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![BU of 5ww0 by Molmil](/molmil-images/mine/5ww0) | Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe | Descriptor: | SET domain-containing protein 7, SULFATE ION | Authors: | Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E. | Deposit date: | 2016-12-30 | Release date: | 2017-12-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis. Structure, 27, 2019
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6TOV
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![BU of 6tov by Molmil](/molmil-images/mine/6tov) | Crystal Structure of Teicoplanin Aglycone | Descriptor: | DIMETHYL SULFOXIDE, Teicoplanin Aglycone | Authors: | Belviso, B.D, Carrozzini, B, Caliandro, R, Altomare, C.D, Bolognino, I, Cellamare, S. | Deposit date: | 2019-12-12 | Release date: | 2020-01-15 | Last modified: | 2022-01-19 | Method: | X-RAY DIFFRACTION (0.767 Å) | Cite: | Enantiomeric Separation and Molecular Modelling of Bioactive 4-Aryl-3,4-dihydropyrimidin-2(1H)-one Ester Derivatives on Teicoplanin-Based Chiral Stationary Phase Separations, 2022
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4QOT
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![BU of 4qot by Molmil](/molmil-images/mine/4qot) | Crystal structure of human copper chaperone bound to the platinum ion | Descriptor: | Copper transport protein ATOX1, PLATINUM (II) ION, SULFATE ION | Authors: | Belviso, B.D, Galliani, A, Caliandro, R, Arnesano, F, Natile, G. | Deposit date: | 2014-06-20 | Release date: | 2015-06-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Oxaliplatin Binding to Human Copper Chaperone Atox1 and Protein Dimerization Inorg.Chem., 55, 2016
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4DPE
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![BU of 4dpe by Molmil](/molmil-images/mine/4dpe) | Structure of MMP3 complexed with a platinum-based inhibitor. | Descriptor: | CALCIUM ION, CHLORIDE ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | Authors: | Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D. | Deposit date: | 2012-02-13 | Release date: | 2013-02-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of matrix metalloproteinase-3 with a platinum-based inhibitor. Chem.Commun.(Camb.), 49, 2013
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6RV5
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![BU of 6rv5 by Molmil](/molmil-images/mine/6rv5) | X-ray structure of the levansucrase from Erwinia tasmaniensis in complex with levanbiose | Descriptor: | GLYCEROL, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION, ... | Authors: | Polsinelli, I, Caliandro, R, Demitri, N, Benini, S. | Deposit date: | 2019-05-31 | Release date: | 2020-04-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The Structure of Sucrose-Soaked Levansucrase Crystals fromErwinia tasmaniensisreveals a Binding Pocket for Levanbiose. Int J Mol Sci, 21, 2019
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6TT0
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![BU of 6tt0 by Molmil](/molmil-images/mine/6tt0) | Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor | Descriptor: | (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | de la Mora, E, Mangiatordi, G.F, Belviso, B.D, Caliandro, R, Colletier, J.P, Catto, M. | Deposit date: | 2019-12-22 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.80003023 Å) | Cite: | Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor. Acs Med.Chem.Lett., 11, 2020
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4G9L
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![BU of 4g9l by Molmil](/molmil-images/mine/4g9l) | Structure of MMP3 complexed with NNGH inhibitor. | Descriptor: | CALCIUM ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, Stromelysin-1, ... | Authors: | Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D. | Deposit date: | 2012-07-24 | Release date: | 2013-05-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure of matrix metalloproteinase-3 with a platinum-based inhibitor. Chem.Commun.(Camb.), 49, 2013
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6Y3C
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![BU of 6y3c by Molmil](/molmil-images/mine/6y3c) | Human COX-1 Crystal Structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Prostaglandin G/H synthase 1, ... | Authors: | Miciaccia, M, Belviso, B.D, Iaselli, M, Ferorelli, S, Perrone, M.G, Caliandro, R, Scilimati, A. | Deposit date: | 2020-02-18 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.361 Å) | Cite: | Three-dimensional structure of human cyclooxygenase (hCOX)-1. Sci Rep, 11, 2021
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4JA1
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![BU of 4ja1 by Molmil](/molmil-images/mine/4ja1) | Structure of MMP3 complexed with a platinum-based inhibitor | Descriptor: | CALCIUM ION, CHLORIDE ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | Authors: | Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D. | Deposit date: | 2013-02-18 | Release date: | 2013-02-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of matrix metalloproteinase-3 with a platinum-based inhibitor. Chem.Commun.(Camb.), 49, 2013
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7BB1
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![BU of 7bb1 by Molmil](/molmil-images/mine/7bb1) | Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glutamic acid 2:1 | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | Authors: | Belviso, B.D, Caliandro, R, Carrozzini, B. | Deposit date: | 2020-12-16 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents Acs Sustain Chem Eng, 9, 2021
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7B9J
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![BU of 7b9j by Molmil](/molmil-images/mine/7b9j) | Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Urea 1:2 | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | Authors: | Belviso, B.D, Caliandro, R, Carrozzini, B. | Deposit date: | 2020-12-14 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents Acs Sustain Chem Eng, 9, 2021
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7BAZ
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![BU of 7baz by Molmil](/molmil-images/mine/7baz) | Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glycerol 1:2 | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | Authors: | Belviso, B.D, Caliandro, R, Carrozzini, B. | Deposit date: | 2020-12-16 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents Acs Sustain Chem Eng, 9, 2021
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