4EC4
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![BU of 4ec4 by Molmil](/molmil-images/mine/4ec4) | XIAP-BIR3 in complex with a potent divalent Smac mimetic | Descriptor: | (3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide], 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Baculoviral IAP repeat-containing protein 4, ... | Authors: | Mastrangelo, E, Cossu, F, Bolognesi, M, Milani, M. | Deposit date: | 2012-03-26 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural insight into inhibitor of apoptosis proteins recognition by a potent divalent smac-mimetic. Plos One, 7, 2012
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3CM7
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![BU of 3cm7 by Molmil](/molmil-images/mine/3cm7) | Crystal Structure of XIAP-BIR3 domain in complex with Smac-mimetic compuond, Smac005 | Descriptor: | (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | Authors: | Mastrangelo, E, Cossu, F, Milani, M. | Deposit date: | 2008-03-21 | Release date: | 2008-10-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles. J.Mol.Biol., 384, 2008
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2OXT
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![BU of 2oxt by Molmil](/molmil-images/mine/2oxt) | Crystal structure of Meaban virus nucleoside-2'-O-methyltransferase | Descriptor: | NUCLEOSIDE-2'-O-METHYLTRANSFERASE, S-ADENOSYLMETHIONINE | Authors: | Mastrangelo, E, Milani, M, Bollati, M, Bolognesi, M. | Deposit date: | 2007-02-21 | Release date: | 2007-05-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural bases for substrate recognition and activity in Meaban virus nucleoside-2'-O-methyltransferase Protein Sci., 16, 2007
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3CLX
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![BU of 3clx by Molmil](/molmil-images/mine/3clx) | Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac005 | Descriptor: | (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | Authors: | Milani, M, Mastrangelo, E, Cossu, F. | Deposit date: | 2008-03-20 | Release date: | 2008-10-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles. J.Mol.Biol., 384, 2008
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5IQ6
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![BU of 5iq6 by Molmil](/molmil-images/mine/5iq6) | Crystal structure of Dengue virus serotype 3 RNA dependent RNA polymerase bound to HeE1-2Tyr, a new pyridobenzothizole inhibitor | Descriptor: | N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine, RNA dependent RNA polymerase, ZINC ION | Authors: | Tarantino, D, Mastrangelo, E, Milani, M. | Deposit date: | 2016-03-10 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Targeting flavivirus RNA dependent RNA polymerase through a pyridobenzothiazole inhibitor. Antiviral Res., 134, 2016
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7NK0
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![BU of 7nk0 by Molmil](/molmil-images/mine/7nk0) | Structure of the BIR1 domain of cIAP2 | Descriptor: | Baculoviral IAP repeat-containing protein 3, ZINC ION | Authors: | Cossu, F, Milani, M, Mastrangelo, E, Mirdita, D. | Deposit date: | 2021-02-17 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure-based identification of a new IAP-targeting compound that induces cancer cell death inducing NF-kappa B pathway. Comput Struct Biotechnol J, 19, 2021
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5O2Z
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![BU of 5o2z by Molmil](/molmil-images/mine/5o2z) | Domain swap dimer of the G167R variant of gelsolin second domain | Descriptor: | ACETATE ION, CALCIUM ION, CITRATE ANION, ... | Authors: | Boni, F, Milani, M, Mastrangelo, E, de Rosa, M. | Deposit date: | 2017-05-23 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Gelsolin pathogenic Gly167Arg mutation promotes domain-swap dimerization of the protein. Hum. Mol. Genet., 27, 2018
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5MIV
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![BU of 5miv by Molmil](/molmil-images/mine/5miv) | G307E variant of murine Apoptosis Inducing Factor in complex with NAD+ | Descriptor: | Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Sorrentino, L, Cossu, F, Aliverti, A, Milani, M, Mastrangelo, E. | Deposit date: | 2016-11-29 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural bases of the altered catalytic properties of a pathogenic variant of apoptosis inducing factor. Biochem. Biophys. Res. Commun., 490, 2017
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5MIU
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![BU of 5miu by Molmil](/molmil-images/mine/5miu) | G307E variant of Murine Apoptosis Inducing Factor (oxidized state) | Descriptor: | Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Sorrentino, L, Cossu, F, Milani, M, Aliverti, A, Mastrangelo, E. | Deposit date: | 2016-11-29 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural bases of the altered catalytic properties of a pathogenic variant of apoptosis inducing factor. Biochem. Biophys. Res. Commun., 490, 2017
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3OZ1
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![BU of 3oz1 by Molmil](/molmil-images/mine/3oz1) | cIAP1-BIR3 domain in complex with the Smac-mimetic compound Smac066 | Descriptor: | (3S,6S,7R,9aS)-7-[2-(benzylamino)ethyl]-N-(diphenylmethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Cossu, F, Malvezzi, F, Mastrangelo, E, Canevari, G, Bolognesi, M, Milani, M. | Deposit date: | 2010-09-24 | Release date: | 2010-11-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recognition of Smac-mimetic compounds by the BIR3 domain of cIAP1 Protein Sci., 2010
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3CM2
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![BU of 3cm2 by Molmil](/molmil-images/mine/3cm2) | Crystal Structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac010 | Descriptor: | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(aminomethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | Authors: | Cossu, F, Mastrangelo, E, Milani, M. | Deposit date: | 2008-03-20 | Release date: | 2008-10-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles. J.Mol.Biol., 384, 2008
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2WV9
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![BU of 2wv9 by Molmil](/molmil-images/mine/2wv9) | Crystal Structure of the NS3 protease-helicase from Murray Valley encephalitis virus | Descriptor: | FLAVIVIRIN PROTEASE NS2B REGULATORY SUBUNIT, FLAVIVIRIN PROTEASE NS3 CATALYTIC SUBUNIT | Authors: | Assenberg, R, Mastrangelo, E, Walter, T.S, Verma, A, Milani, M, Owens, R.J, Stuart, D.I, Grimes, J.M, Mancini, E.J. | Deposit date: | 2009-10-15 | Release date: | 2009-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal Structure of a Novel Conformational State of the Flavivirus Ns3 Protein: Implications for Polyprotein Processing and Viral Replication. J.Virol., 83, 2009
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4EB9
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![BU of 4eb9 by Molmil](/molmil-images/mine/4eb9) | cIAP1-BIR3 in complex with a divalent Smac mimetic | Descriptor: | (3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide], Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Cossu, F, Mastrangelo, E, Bolognesi, M, Milani, M. | Deposit date: | 2012-03-23 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insight into inhibitor of apoptosis proteins recognition by a potent divalent smac-mimetic. Plos One, 7, 2012
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6QW3
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![BU of 6qw3 by Molmil](/molmil-images/mine/6qw3) | Calcium-bound gelsolin domain 2 | Descriptor: | CALCIUM ION, Gelsolin | Authors: | Scalone, E, Boni, F, Milani, M, Mastrangelo, E, de Rosa, M. | Deposit date: | 2019-03-05 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-resolution crystal structure of gelsolin domain 2 in complex with the physiological calcium ion. Biochem.Biophys.Res.Commun., 518, 2019
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6QCI
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![BU of 6qci by Molmil](/molmil-images/mine/6qci) | Structure of XIAP-BIR1 V86E mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | Authors: | Sorrentino, L, Cossu, F, Milani, M, Mastrangelo, E. | Deposit date: | 2018-12-28 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Activity Relationship of NF023 Derivatives Binding to XIAP-BIR1. Chemistryopen, 8, 2019
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2OK7
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![BU of 2ok7 by Molmil](/molmil-images/mine/2ok7) | Ferredoxin-NADP+ reductase from Plasmodium falciparum with 2'P-AMP | Descriptor: | ADENOSINE-2'-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Putative ferredoxin--NADP reductase, ... | Authors: | Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2007-01-16 | Release date: | 2007-02-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis. J.Mol.Biol., 367, 2007
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2OK8
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![BU of 2ok8 by Molmil](/molmil-images/mine/2ok8) | Ferredoxin-NADP+ reductase from Plasmodium falciparum | Descriptor: | CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Putative ferredoxin--NADP reductase | Authors: | Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2007-01-16 | Release date: | 2007-02-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis. J.Mol.Biol., 367, 2007
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3UR0
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![BU of 3ur0 by Molmil](/molmil-images/mine/3ur0) | Crystal structures of murine norovirus RNA-dependent RNA polymerase in complex with Suramin | Descriptor: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID, RNA-dependent RNA polymerase, SULFATE ION | Authors: | Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2011-11-21 | Release date: | 2012-05-02 | Last modified: | 2012-05-23 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Inhibition of Norovirus RNA-Dependent RNA Polymerases. J.Mol.Biol., 419, 2012
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3UPF
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![BU of 3upf by Molmil](/molmil-images/mine/3upf) | Crystal structure of murine norovirus RNA-dependent RNA polymerase bound to NF023 | Descriptor: | 8-({3-[({3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)amino]benzoyl}amino)naphthalene-1,3,5-trisulfonic acid, RNA-dependent RNA polymerase, SULFATE ION | Authors: | Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2011-11-18 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Inhibition of Norovirus RNA-Dependent RNA Polymerases. J.Mol.Biol., 419, 2012
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3UQS
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![BU of 3uqs by Molmil](/molmil-images/mine/3uqs) | |
6EY2
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![BU of 6ey2 by Molmil](/molmil-images/mine/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: | 2024-01-17 | 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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2QEQ
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![BU of 2qeq by Molmil](/molmil-images/mine/2qeq) | |
6EXW
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![BU of 6exw by Molmil](/molmil-images/mine/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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6G49
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![BU of 6g49 by Molmil](/molmil-images/mine/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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6G4H
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![BU of 6g4h by Molmil](/molmil-images/mine/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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