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7T8I
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BU of 7t8i by Molmil
Crystal structure of the ImmR transcriptional regulator DNA-binding domain of Bacillus subtilis
Descriptor: Phage element (ICEBs1)transcriptional regulator (Xre family)
Authors:Caliandro, R, de Diego, I, Gomis-Ruth, F.X.
Deposit date:2021-12-16
Release date:2022-03-16
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure report of the ImmR transcriptional regulator DNA-binding domain of the Bacillus subtilis ICEBs1 transposon.
Sci Rep, 12, 2022
5NAU
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BU of 5nau by Molmil
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
5NAP
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BU of 5nap by Molmil
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
6YSB
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BU of 6ysb by Molmil
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
6YUX
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BU of 6yux by Molmil
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
6YTZ
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BU of 6ytz by Molmil
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
5T7L
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BU of 5t7l by Molmil
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
5NUU
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BU of 5nuu by Molmil
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
7ZC3
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BU of 7zc3 by Molmil
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
6QUK
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BU of 6quk by Molmil
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
6QUF
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BU of 6quf by Molmil
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
4QOT
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BU of 4qot by Molmil
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
5H6Z
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BU of 5h6z by Molmil
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
5WW0
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BU of 5ww0 by Molmil
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
6TOV
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BU of 6tov by Molmil
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
6RV5
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BU of 6rv5 by Molmil
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
4DPE
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BU of 4dpe by Molmil
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
7OBF
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BU of 7obf by Molmil
Crystal structure of the human VH antibody domain HEL4
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HEL4, ...
Authors:Belviso, B.D, Caliandro, R, Carrozzini, B.
Deposit date:2021-04-22
Release date:2021-05-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Crystal structure of the human VH antibody domain HEL4
To Be Published
6TT0
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BU of 6tt0 by Molmil
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
6EO8
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BU of 6eo8 by Molmil
Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor
Descriptor: DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy)propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ...
Authors:Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D.
Deposit date:2017-10-09
Release date:2017-12-13
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
J. Med. Chem., 57, 2014
6EO9
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BU of 6eo9 by Molmil
Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor
Descriptor: DIMETHYL SULFOXIDE, Hirudin variant-2, N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-{3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]propoxy}phenyl)-1-(propan-2-yl)piperidine-4-carboxamide, ...
Authors:Belviso, B.D, Caliandro, R, Aresta, B.M, De Candia, M, Altomare, C.D.
Deposit date:2017-10-09
Release date:2017-12-13
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:How a beta-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
J. Med. Chem., 57, 2014
7B9J
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BU of 7b9j by Molmil
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
7BB1
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BU of 7bb1 by Molmil
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
7BAZ
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BU of 7baz by Molmil
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
6FRW
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BU of 6frw by Molmil
X-ray structure of the levansucrase from Erwinia tasmaniensis
Descriptor: GLYCEROL, Levansucrase (Beta-D-fructofuranosyl transferase), ZINC ION
Authors:Polsinelli, I, Salomone-Stagni, M, Caliandro, R, Demitri, N, Benini, S.
Deposit date:2018-02-16
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Comparison of the Levansucrase from the epiphyte Erwinia tasmaniensis vs its homologue from the phytopathogen Erwinia amylovora.
Int. J. Biol. Macromol., 127, 2019

 

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