9EX1
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9EX0
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![BU of 9ex0 by Molmil](/molmil-images/mine/9ex0) | X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure A) | Descriptor: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex, ... | Authors: | Tito, G, Merlino, A, Ferraro, G. | Deposit date: | 2024-04-05 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 2024
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9EX2
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![BU of 9ex2 by Molmil](/molmil-images/mine/9ex2) | X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure C) | Descriptor: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex, ... | Authors: | Tito, G, Merlino, A, Ferraro, G. | Deposit date: | 2024-04-05 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.172 Å) | Cite: | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 2024
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8CE2
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![BU of 8ce2 by Molmil](/molmil-images/mine/8ce2) | X-ray structure of the adduct formed upon reaction of a B-DNA double helical dodecamer with dirhodium tetraacetate | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-02-01 | Release date: | 2023-05-31 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Dirhodium tetraacetate binding to a B-DNA double helical dodecamer probed by X-ray crystallography and mass spectrometry. Dalton Trans, 52, 2023
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2VB5
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![BU of 2vb5 by Molmil](/molmil-images/mine/2vb5) | Solution structure of W60G mutant of human beta2-microglobulin | Descriptor: | BETA-2-MICROGLOBULIN | Authors: | Esposito, G, Corazza, A, Rennella, E, Gumral, D, Mimmi, M.C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M, Bellotti, V. | Deposit date: | 2007-09-06 | Release date: | 2007-09-25 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Controlling Roles of Trp60 and Trp95 in Beta2-Microglobulin Function, Folding and Amyloid Aggregation Properties. J.Mol.Biol., 378, 2008
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8PTE
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![BU of 8pte by Molmil](/molmil-images/mine/8pte) | Polyoxidovanadate interaction with proteins: crystal structure of lysozyme bound to octadecavanadate ion (structure B) | Descriptor: | Lysozyme C, NITRATE ION, Polyoxidovanadate complex, ... | Authors: | Tito, G, Ferraro, G, Merlino, A. | Deposit date: | 2023-07-14 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Stabilization and Binding of [V 4 O 12 ] 4- and Unprecedented [V 20 O 54 (NO 3 )] n- to Lysozyme upon Loss of Ligands and Oxidation of the Potential Drug V IV O(acetylacetonato) 2. Angew.Chem.Int.Ed.Engl., 62, 2023
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7ZU6
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![BU of 7zu6 by Molmil](/molmil-images/mine/7zu6) | Polyoxidovanadate interaction with proteins: crystal structure of lysozyme bound to tetra-vanadate ion (structure 1) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYCLO-TETRAMETAVANADATE, Lysozyme, ... | Authors: | Tito, G, Merlino, A, Ferraro, G. | Deposit date: | 2022-05-11 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.183 Å) | Cite: | Stabilization and Binding of [V 4 O 12 ] 4- and Unprecedented [V 20 O 54 (NO 3 )] n- to Lysozyme upon Loss of Ligands and Oxidation of the Potential Drug V IV O(acetylacetonato) 2. Angew.Chem.Int.Ed.Engl., 62, 2023
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8RI5
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![BU of 8ri5 by Molmil](/molmil-images/mine/8ri5) | Crystal structure of transplatin/B-DNA adduct obtained upon 48 h of soaking | Descriptor: | AMMONIA, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-12-18 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.415 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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8RI3
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![BU of 8ri3 by Molmil](/molmil-images/mine/8ri3) | Crystal structure of transplatin/B-DNA adduct obtained upon 7 days of soaking | Descriptor: | AMMONIA, CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), ... | Authors: | Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-12-18 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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1FTT
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![BU of 1ftt by Molmil](/molmil-images/mine/1ftt) | THYROID TRANSCRIPTION FACTOR 1 HOMEODOMAIN (RATTUS NORVEGICUS) | Descriptor: | THYROID TRANSCRIPTION FACTOR 1 HOMEODOMAIN | Authors: | Fogolari, F, Esposito, G, Damante, G, Formisano, S, Di Lauro, R, Viglino, P. | Deposit date: | 1995-10-03 | Release date: | 1996-01-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Analysis of the solution structure of the homeodomain of rat thyroid transcription factor 1 by 1H-NMR spectroscopy and restrained molecular mechanics. Eur.J.Biochem., 241, 1996
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4YZM
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![BU of 4yzm by Molmil](/molmil-images/mine/4yzm) | Humanized Roco4 bound to LRRK2-In1 | Descriptor: | 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, MAGNESIUM ION, Probable serine/threonine-protein kinase roco4 | Authors: | Gilsbach, B.K, Messias, A.C, Ito, G, Sattler, M, Alessi, D.R, Wittinghofer, A, Kortholt, A. | Deposit date: | 2015-03-25 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Characterization of LRRK2 Inhibitors. J.Med.Chem., 58, 2015
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4YZN
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![BU of 4yzn by Molmil](/molmil-images/mine/4yzn) | Humanized Roco4 bound to Compound 19 | Descriptor: | (4-{[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-2-fluoro-5-methoxyphenyl)(morpholin-4-yl)methanone, Probable serine/threonine-protein kinase roco4 | Authors: | Gilsbach, B.K, Messias, A.C, Ito, G, Sattler, M, Alessi, D.R, Wittinghofer, A, Kortholt, A. | Deposit date: | 2015-03-25 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Characterization of LRRK2 Inhibitors. J.Med.Chem., 58, 2015
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8BOV
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![BU of 8bov by Molmil](/molmil-images/mine/8bov) | X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 7.5 | Descriptor: | 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Ferraro, G, Tito, G, Merlino, A. | Deposit date: | 2022-11-15 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents. Int J Mol Sci, 24, 2023
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8BOY
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![BU of 8boy by Molmil](/molmil-images/mine/8boy) | X-ray structure of the adduct formed upon reaction of the five-coordinate Pt(II) complex, 1-Me,Me, with HEWL at pH 4.0 | Descriptor: | 1-[1,3-dimethyl-4-(1~{H}-1,2,3-triazol-5-yl)imidazol-1-ium-2-yl]-1,2',11'-trimethyl-spiro[1$l^{6}-platinacycloprop-2-ene-1,15'-1,12-diaza-15$l^{6}-platinatetracyclo[10.2.1.0^{5,14}.0^{8,13}]pentadeca-2,4,6,8,10,13-hexaene], Lysozyme C, NITRATE ION, ... | Authors: | Ferraro, G, Tito, G, Merlino, A. | Deposit date: | 2022-11-15 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Impact of Hydrophobic Chains in Five-Coordinate Glucoconjugate Pt(II) Anticancer Agents. Int J Mol Sci, 24, 2023
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1Y9O
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![BU of 1y9o by Molmil](/molmil-images/mine/1y9o) | 1H NMR Structure of Acylphosphatase from the hyperthermophile Sulfolobus Solfataricus | Descriptor: | Acylphosphatase | Authors: | Corazza, A, Rosano, C, Pagano, K, Alverdi, V, Esposito, G, Capanni, C, Bemporad, F, Plakoutsi, G, Stefani, M, Chiti, F, Zuccotti, S, Bolognesi, M, Viglino, P. | Deposit date: | 2004-12-16 | Release date: | 2005-11-29 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure, conformational stability, and enzymatic properties of acylphosphatase from the hyperthermophile Sulfolobus solfataricus Proteins, 62, 2006
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8C63
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![BU of 8c63 by Molmil](/molmil-images/mine/8c63) | Crystal structure of arsenoplatin-1/B-DNA adduct obtained upon 4 h of soaking | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, PLATINUM (II) ION, ... | Authors: | Troisi, R, Tito, G, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-01-11 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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8C64
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![BU of 8c64 by Molmil](/molmil-images/mine/8c64) | Crystal structure of arsenoplatin-1/B-DNA adduct obtained upon 48 h of soaking | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PLATINUM (II) ION, arsenoplatin-1 | Authors: | Troisi, R, Tito, G, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-01-11 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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8C62
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![BU of 8c62 by Molmil](/molmil-images/mine/8c62) | Crystal structure of cisplatin/B-DNA adduct | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), PLATINUM (II) ION | Authors: | Troisi, R, Tito, G, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-01-11 | Release date: | 2024-01-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer. Dalton Trans, 53, 2024
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2KA3
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![BU of 2ka3 by Molmil](/molmil-images/mine/2ka3) | Structure of EMILIN-1 C1Q-like domain | Descriptor: | EMILIN-1 | Authors: | Verdone, G, Corazza, A, Colebrooke, S.A, Cicero, D.O, Eliseo, T, Boyd, J, Doliana, R, Fogolari, F, Viglino, P, Colombatti, A, Campbell, I.D, Esposito, G. | Deposit date: | 2008-10-30 | Release date: | 2008-11-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR-based homology model for the solution structure of the C-terminal globular domain of EMILIN1 J.Biomol.Nmr, 43, 2009
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2GV1
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![BU of 2gv1 by Molmil](/molmil-images/mine/2gv1) | |
2OII
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![BU of 2oii by Molmil](/molmil-images/mine/2oii) | Structure of EMILIN-1 C1q-like domain | Descriptor: | EMILIN-1 | Authors: | Verdone, G, Colebrooke, S.A, Corazza, A, Cicero, D.O, Eliseo, T, Viglino, P, Campbell, I.D, Colombatti, A, Esposito, G. | Deposit date: | 2007-01-11 | Release date: | 2008-01-22 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The solution structure of the C-terminal domain of EMILIN-1 To be Published
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2K27
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![BU of 2k27 by Molmil](/molmil-images/mine/2k27) | Solution structure of Human Pax8 Paired Box Domain | Descriptor: | Paired box protein Pax-8 | Authors: | Codutti, L, Esposito, G, Corazza, A, Fogolari, F, Tell, G, Vascotto, C, van Ingen, H, Boelens, R, Viglino, P, Quadrifoglio, F. | Deposit date: | 2008-03-26 | Release date: | 2008-09-30 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | The Solution Structure of DNA-free Pax-8 Paired Box Domain Accounts for Redox Regulation of Transcriptional Activity in the Pax Protein Family. J.Biol.Chem., 283, 2008
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4GEQ
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![BU of 4geq by Molmil](/molmil-images/mine/4geq) | Crystal structure of the Spc24-Spc25/Cnn1 binding interface | Descriptor: | GLYCEROL, Kinetochore protein SPC24, Kinetochore protein SPC25, ... | Authors: | Malvezzi, F, Litos, G, Schleiffer, A, Heuck, A, Clausen, T, Westermann, S. | Deposit date: | 2012-08-02 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A structural basis for kinetochore recruitment of the Ndc80 complex via two distinct centromere receptors. Embo J., 32, 2013
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1JNJ
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![BU of 1jnj by Molmil](/molmil-images/mine/1jnj) | NMR solution structure of the human beta2-microglobulin | Descriptor: | beta2-microglobulin | Authors: | Verdone, G, Corazza, A, Viglino, P, Pettirossi, F, Giorgetti, S, Mangione, P, Andreola, A, Stoppini, M, Bellotti, V, Esposito, G. | Deposit date: | 2001-07-24 | Release date: | 2002-02-27 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | The solution structure of human beta2-microglobulin reveals the prodromes of its amyloid transition. Protein Sci., 11, 2002
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1PY4
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![BU of 1py4 by Molmil](/molmil-images/mine/1py4) | Beta2 microglobulin mutant H31Y displays hints for amyloid formations | Descriptor: | Beta-2-microglobulin precursor | Authors: | Rosano, C, Zuccotti, S, Mangione, P, Giorgetti, S, Bellotti, V, Pettirossi, F, Corazza, A, Viglino, P, Esposito, G, Bolognesi, M. | Deposit date: | 2003-07-08 | Release date: | 2004-05-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | beta2-microglobulin H31Y variant 3D structure highlights the protein natural propensity towards intermolecular aggregation J.Mol.Biol., 335, 2004
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