4MTZ
 
 | | Structure of XIAP-BIR1 in complex with NF023 | | Descriptor: | 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid, E3 ubiquitin-protein ligase XIAP, SULFATE ION, ... | | Authors: | Cossu, F, Milani, M, Grassi, S, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2013-09-20 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Protein-protein interactions in nfkb pathway: novel tools to promote apoptosis in cancer therapy
To be Published
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4OXC
 | | Crystal structure of XIAP BIR1 domain | | Descriptor: | E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Milani, M, Cossu, F, Mastrangelo, E. | | Deposit date: | 2014-02-05 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | NF023 binding to XIAP-BIR1: Searching drugs for regulation of the NF-kappa B pathway.
Proteins, 83, 2015
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4O4R
 | | Murine Norovirus RdRp in complex with PPNDS | | Descriptor: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, RNA-dependent-RNA-polymerase, SULFATE ION | | Authors: | Croci, R, Tarantino, D, Milani, M, Pezzullo, M, Bolognesi, M, Mastrangelo, E. | | Deposit date: | 2013-12-19 | | Release date: | 2014-11-05 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | PPNDS inhibits murine Norovirus RNA-dependent RNA-polymerase mimicking two RNA stacking bases.
Febs Lett., 588, 2014
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4NRU
 | | Murine Norovirus RNA-dependent-RNA-polymerase in complex with Compound 6, a suramin derivative | | Descriptor: | 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, MAGNESIUM ION, RNA dependent RNA polymerase | | Authors: | Milani, M, Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2013-11-27 | | Release date: | 2014-10-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds.
Plos One, 9, 2014
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6EY2
 | | Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM | | Descriptor: | (3~{S},6~{S},7~{S},9~{a}~{S})-~{N}-[(4-~{tert}-butylphenyl)methyl]-7-(hydroxymethyl)-6-[[(2~{S})-2-(methylamino)butanoyl]amino]-5-oxidanylidene-1,2,3,6,7,8,9,9~{a}-octahydropyrrolo[1,2-a]azepine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Cossu, F, Corti, A, Milani, M, Mastrangelo, E. | | Deposit date: | 2017-11-10 | | Release date: | 2018-08-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
FEBS J., 285, 2018
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6EXW
 | | Crystal structure of cIAP1-BIR3 in complex with a covalently bound SM | | Descriptor: | (3~{S},6~{S},7~{R},9~{a}~{S})-6-[[(2~{S})-2-(methylamino)propanoyl]amino]-5-oxidanylidene-~{N}-(phenylmethyl)-7-[(propanoylamino)methyl]-3,6,7,8,9,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Corti, A, Cossu, F, Milani, M, Mastrangelo, E. | | Deposit date: | 2017-11-10 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
FEBS J., 285, 2018
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6G4H
 | | Crystal structure of the periplasmic domain of TgpA from Pseudomonas aeruginosa bound to ethylmercury | | Descriptor: | ETHYL MERCURY ION, PHOSPHATE ION, Protein-glutamine gamma-glutamyltransferase | | Authors: | Milani, M, Mastrangelo, E, Uruburu, M. | | Deposit date: | 2018-03-27 | | Release date: | 2019-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional characterization of TgpA, a critical protein for the viability of Pseudomonas aeruginosa.
J.Struct.Biol., 205, 2019
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6GJW
 | | Structure of XIAP-BIR1 domain in complex with an NF023 analog | | Descriptor: | 4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Sorrentino, L, Cossu, F, Malkoc, B, Zaffaroni, M, Milani, M, Mastrangelo, E. | | Deposit date: | 2018-05-17 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Activity Relationship of NF023 Derivatives Binding to XIAP-BIR1.
Chemistryopen, 8, 2019
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6H1F
 | | Structure of the nanobody-stabilized gelsolin D187N variant (second domain) | | Descriptor: | Gelsolin, THIOCYANATE ION, gelsolin nanobody, ... | | Authors: | Hassan, A, Milani, M, Mastrangelo, E, de Rosa, M. | | Deposit date: | 2018-07-11 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Nanobody interaction unveils structure, dynamics and proteotoxicity of the Finnish-type amyloidogenic gelsolin variant.
Biochim Biophys Acta Mol Basis Dis, 1865, 2019
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6G49
 | | Crystal structure of the periplasmic domain of TgpA from Pseudomonas aeruginosa | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Protein-glutamine gamma-glutamyltransferase | | Authors: | Milani, M, Mastrangelo, E, Uruburu, M. | | Deposit date: | 2018-03-27 | | Release date: | 2019-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and functional characterization of TgpA, a critical protein for the viability of Pseudomonas aeruginosa.
J.Struct.Biol., 205, 2019
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3ELY
 | | Wesselsbron virus Methyltransferase in complex with AdoHcy | | Descriptor: | DI(HYDROXYETHYL)ETHER, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Bollati, M, Milani, M, Ricagno, S, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2008-09-23 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Recognition of RNA Cap in the Wesselsbron Virus NS5 Methyltransferase Domain: Implications for RNA-Capping Mechanisms in Flavivirus
J.Mol.Biol., 385, 2009
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3EMB
 | | Wesselsbron virus Methyltransferase in complex with AdoMet and 7MeGpppG | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, Methyltransferase, S-ADENOSYLMETHIONINE, ... | | Authors: | Bollati, M, Ricagno, S, Milani, M, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2008-09-24 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Recognition of RNA Cap in the Wesselsbron Virus NS5 Methyltransferase Domain: Implications for RNA-Capping Mechanisms in Flavivirus
J.Mol.Biol., 385, 2009
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3ELW
 | | Wesselsbron virus Methyltransferase in complex with AdoMet and GpppG | | Descriptor: | DIGUANOSINE-5'-TRIPHOSPHATE, Methyltransferase, S-ADENOSYLMETHIONINE, ... | | Authors: | Bollati, M, Ricagno, S, Milani, M, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2008-09-23 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Recognition of RNA Cap in the Wesselsbron Virus NS5 Methyltransferase Domain: Implications for RNA-Capping Mechanisms in Flavivirus
J.Mol.Biol., 385, 2009
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3ELU
 | | Wesselsbron virus Methyltransferase in complex with AdoMet | | Descriptor: | Methyltransferase, S-ADENOSYLMETHIONINE, SULFATE ION | | Authors: | Bollati, M, Ricagno, S, Milani, M, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2008-09-23 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recognition of RNA Cap in the Wesselsbron Virus NS5 Methyltransferase Domain: Implications for RNA-Capping Mechanisms in Flavivirus
J.Mol.Biol., 385, 2009
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3EMD
 | | Wesselsbron virus Methyltransferase in complex with Sinefungin and 7MeGpppA | | Descriptor: | P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, SINEFUNGIN, SULFATE ION, ... | | Authors: | Bollati, M, Milani, M, Ricagno, S, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2008-09-24 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recognition of RNA Cap in the Wesselsbron Virus NS5 Methyltransferase Domain: Implications for RNA-Capping Mechanisms in Flavivirus
J.Mol.Biol., 385, 2009
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3ELD
 | | Wesselsbron methyltransferase in complex with Sinefungin | | Descriptor: | Methyltransferase, SINEFUNGIN, SULFATE ION | | Authors: | Bollati, M, Milani, M, Mastrangelo, E, Ricagno, S, Bolognesi, M. | | Deposit date: | 2008-09-22 | | Release date: | 2008-11-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Recognition of RNA Cap in the Wesselsbron Virus NS5 Methyltransferase Domain: Implications for RNA-Capping Mechanisms in Flavivirus
J.Mol.Biol., 385, 2009
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3EYL
 | | Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound | | Descriptor: | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | | Authors: | Cossu, F, Milani, M, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2008-10-21 | | Release date: | 2008-11-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Designing Smac-mimetics as antagonists of XIAP, cIAP1, and cIAP2.
Biochem.Biophys.Res.Commun., 378, 2009
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3GCZ
 | | Yokose virus Methyltransferase in complex with AdoMet | | Descriptor: | GLYCEROL, Polyprotein, S-ADENOSYLMETHIONINE, ... | | Authors: | Bollati, M, Milani, M, Mastrangelo, E, Bolognesi, M, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2009-02-23 | | Release date: | 2009-03-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a methyltransferase from a no-known-vector Flavivirus
Biochem.Biophys.Res.Commun., 382, 2009
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4TX5
 | | Crystal structure of Smac-DIABLO (in space group P65) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Diablo homolog, ... | | Authors: | Milani, M, Mastangelo, E, Cossu, F. | | Deposit date: | 2014-07-02 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The activator of apoptosis Smac-DIABLO acts as a tetramer in solution.
Biophys.J., 108, 2015
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7P2B
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8R02
 | | Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a | | Descriptor: | Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35 | | Authors: | Milani, M, Fagnani, E. | | Deposit date: | 2023-10-30 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface.
Comput Struct Biotechnol J, 23, 2024
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8R0J
 | | Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, ... | | Authors: | Milani, M, Fagnani, E. | | Deposit date: | 2023-10-31 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface.
Comput Struct Biotechnol J, 23, 2024
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3MUP
 | | cIAP1-BIR3 domain in complex with the Smac-mimetic compound Smac037 | | Descriptor: | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Cossu, F, Malvezzi, F, Canevari, G, Milani, M. | | Deposit date: | 2010-05-03 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Recognition of Smac-mimetic compounds by the BIR domain of cIAP1
Protein Sci., 19, 2010
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6Q9Z
 | | Crystal structure of the pathological G167R variant of calcium-free human gelsolin, | | Descriptor: | GLYCEROL, Gelsolin, SULFATE ION | | Authors: | Boni, F, Scalone, E, Milani, M, Eloise, M, de Rosa, M. | | Deposit date: | 2018-12-18 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties.
Eur.Biophys.J., 49, 2020
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6QBF
 | | Crystal structure of the pathological D187N variant of calcium-free human gelsolin. | | Descriptor: | GLYCEROL, Gelsolin, SODIUM ION, ... | | Authors: | Scalone, E, Boni, F, Milani, M, Eloise, M, de Rosa, M. | | Deposit date: | 2018-12-21 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.499 Å) | | Cite: | The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties.
Eur.Biophys.J., 49, 2020
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