3MUP
 
 | | cIAP1-BIR3 domain in complex with the Smac-mimetic compound Smac037 | | 分子名称: | (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 | | 著者 | Cossu, F, Malvezzi, F, Canevari, G, Milani, M. | | 登録日 | 2010-05-03 | | 公開日 | 2010-11-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Recognition of Smac-mimetic compounds by the BIR domain of cIAP1
Protein Sci., 19, 2010
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3OZ1
 | | cIAP1-BIR3 domain in complex with the Smac-mimetic compound Smac066 | | 分子名称: | (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 | | 著者 | Cossu, F, Malvezzi, F, Mastrangelo, E, Canevari, G, Bolognesi, M, Milani, M. | | 登録日 | 2010-09-24 | | 公開日 | 2010-11-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Recognition of Smac-mimetic compounds by the BIR3 domain of cIAP1
Protein Sci., 2010
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7NK0
 | | Structure of the BIR1 domain of cIAP2 | | 分子名称: | Baculoviral IAP repeat-containing protein 3, ZINC ION | | 著者 | Cossu, F, Milani, M, Mastrangelo, E, Mirdita, D. | | 登録日 | 2021-02-17 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | 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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4MTZ
 | | Structure of XIAP-BIR1 in complex with NF023 | | 分子名称: | 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, ... | | 著者 | Cossu, F, Milani, M, Grassi, S, Mastrangelo, E, Bolognesi, M. | | 登録日 | 2013-09-20 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Protein-protein interactions in nfkb pathway: novel tools to promote apoptosis in cancer therapy
To be Published
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4EB9
 | | cIAP1-BIR3 in complex with a divalent Smac mimetic | | 分子名称: | (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 | | 著者 | Cossu, F, Mastrangelo, E, Bolognesi, M, Milani, M. | | 登録日 | 2012-03-23 | | 公開日 | 2012-12-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural insight into inhibitor of apoptosis proteins recognition by a potent divalent smac-mimetic.
Plos One, 7, 2012
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3G76
 | | Crystal structure of XIAP-BIR3 in complex with a bivalent compound | | 分子名称: | 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole], Baculoviral IAP repeat-containing protein 4, ZINC ION | | 著者 | Cossu, F, Milani, M, Mastrangelo, E, Bolognesi, M. | | 登録日 | 2009-02-09 | | 公開日 | 2009-05-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural basis for bivalent smac-mimetics recognition in the IAP protein family
J.Mol.Biol., 392, 2009
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3EYL
 | | Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound | | 分子名称: | (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 | | 著者 | Cossu, F, Milani, M, Mastrangelo, E, Bolognesi, M. | | 登録日 | 2008-10-21 | | 公開日 | 2008-11-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Designing Smac-mimetics as antagonists of XIAP, cIAP1, and cIAP2.
Biochem.Biophys.Res.Commun., 378, 2009
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4OXC
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4EC4
 | | XIAP-BIR3 in complex with a potent divalent Smac mimetic | | 分子名称: | (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, ... | | 著者 | Mastrangelo, E, Cossu, F, Bolognesi, M, Milani, M. | | 登録日 | 2012-03-26 | | 公開日 | 2012-12-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structural insight into inhibitor of apoptosis proteins recognition by a potent divalent smac-mimetic.
Plos One, 7, 2012
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6EY2
 | | Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM | | 分子名称: | (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 | | 著者 | Cossu, F, Corti, A, Milani, M, Mastrangelo, E. | | 登録日 | 2017-11-10 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
FEBS J., 285, 2018
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3CM2
 | | Crystal Structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac010 | | 分子名称: | (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 | | 著者 | Cossu, F, Mastrangelo, E, Milani, M. | | 登録日 | 2008-03-20 | | 公開日 | 2008-10-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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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4TX5
 | | Crystal structure of Smac-DIABLO (in space group P65) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Diablo homolog, ... | | 著者 | Milani, M, Mastangelo, E, Cossu, F. | | 登録日 | 2014-07-02 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The activator of apoptosis Smac-DIABLO acts as a tetramer in solution.
Biophys.J., 108, 2015
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6QCI
 | | Structure of XIAP-BIR1 V86E mutant | | 分子名称: | DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | | 著者 | Sorrentino, L, Cossu, F, Milani, M, Mastrangelo, E. | | 登録日 | 2018-12-28 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Activity Relationship of NF023 Derivatives Binding to XIAP-BIR1.
Chemistryopen, 8, 2019
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6GJW
 | | Structure of XIAP-BIR1 domain in complex with an NF023 analog | | 分子名称: | 4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Sorrentino, L, Cossu, F, Malkoc, B, Zaffaroni, M, Milani, M, Mastrangelo, E. | | 登録日 | 2018-05-17 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Activity Relationship of NF023 Derivatives Binding to XIAP-BIR1.
Chemistryopen, 8, 2019
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6EXW
 | | Crystal structure of cIAP1-BIR3 in complex with a covalently bound SM | | 分子名称: | (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 | | 著者 | Corti, A, Cossu, F, Milani, M, Mastrangelo, E. | | 登録日 | 2017-11-10 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
FEBS J., 285, 2018
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5MIV
 | | G307E variant of murine Apoptosis Inducing Factor in complex with NAD+ | | 分子名称: | Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Sorrentino, L, Cossu, F, Aliverti, A, Milani, M, Mastrangelo, E. | | 登録日 | 2016-11-29 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | 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
 | | G307E variant of Murine Apoptosis Inducing Factor (oxidized state) | | 分子名称: | Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Sorrentino, L, Cossu, F, Milani, M, Aliverti, A, Mastrangelo, E. | | 登録日 | 2016-11-29 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | 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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3CM7
 | | Crystal Structure of XIAP-BIR3 domain in complex with Smac-mimetic compuond, Smac005 | | 分子名称: | (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 | | 著者 | Mastrangelo, E, Cossu, F, Milani, M. | | 登録日 | 2008-03-21 | | 公開日 | 2008-10-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | 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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3CLX
 | | Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac005 | | 分子名称: | (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 | | 著者 | Milani, M, Mastrangelo, E, Cossu, F. | | 登録日 | 2008-03-20 | | 公開日 | 2008-10-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | 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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