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3UEI
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Crystal structure of human Survivin E65A mutant
分子名称: Baculoviral IAP repeat-containing protein 5, ZINC ION
著者Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
登録日2011-10-30
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol Biol Cell, 23, 2012
3UEF
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Crystal structure of human Survivin bound to histone H3 (C2 space group).
分子名称: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ...
著者Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
登録日2011-10-30
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol.Biol.Cell, 23, 2012
3UEH
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BU of 3ueh by Molmil
Crystal structure of human Survivin H80A mutant
分子名称: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 5, DI(HYDROXYETHYL)ETHER, ...
著者Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
登録日2011-10-30
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol Biol Cell, 23, 2012
3UED
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BU of 3ued by Molmil
Crystal structure of human Survivin bound to histone H3 phosphorylated on threonine-3 (C2 space group).
分子名称: Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ZINC ION
著者Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
登録日2011-10-30
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol.Biol.Cell, 23, 2012
3UEE
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BU of 3uee by Molmil
Crystal structure of human Survivin K62A mutant bound to N-terminal histone H3
分子名称: Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ZINC ION
著者Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
登録日2011-10-30
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol.Biol.Cell, 23, 2012
4EB9
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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
4EC4
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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
4HY4
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Crystal structure of cIAP1 BIR3 bound to T3170284
分子名称: (3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Dougan, D.R, Mol, C.D, Snell, G.P.
登録日2012-11-12
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.249 Å)
主引用文献Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
4HY5
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Crystal structure of cIAP1 BIR3 bound to T3256336
分子名称: (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Dougan, D.R, Snell, G.P.
登録日2012-11-13
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
4HY0
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BU of 4hy0 by Molmil
Crystal structure of XIAP BIR3 with T3256336
分子名称: (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Snell, G.S, Dougan, D.R.
登録日2012-11-12
公開日2013-01-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
4LGE
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BU of 4lge by Molmil
Crystal structure of clAP1 BIR3 bound to T3261256
分子名称: (4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Dougan, D.R.
登録日2013-06-27
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design, stereoselective synthesis, and biological evaluation of novel tri-cyclic compounds as inhibitor of apoptosis proteins (IAP) antagonists.
Bioorg.Med.Chem., 21, 2013
4LGU
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Crystal structure of clAP1 BIR3 bound to T3226692
分子名称: (3S,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Dougan, D.R, Mol, C.D, Snell, G.P.
登録日2013-06-28
公開日2013-08-28
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, stereoselective synthesis, and biological evaluation of novel tri-cyclic compounds as inhibitor of apoptosis proteins (IAP) antagonists.
Bioorg.Med.Chem., 21, 2013
4J47
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Crystal structure of XIAP-BIR2 domain with SVPI bound
分子名称: E3 ubiquitin-protein ligase XIAP, PEPTIDE (SER-VAL-PRO-ILE), ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-02-06
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
4J3Y
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BU of 4j3y by Molmil
Crystal structure of XIAP-BIR2 domain
分子名称: E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-02-06
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
4J48
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Crystal structure of XIAP-BIR2 domain with AMRV bound
分子名称: E3 ubiquitin-protein ligase XIAP, GLYCEROL, PEPTIDE (ALA-MET-ARG-VAL), ...
著者Gosu, R.
登録日2013-02-06
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
4J46
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BU of 4j46 by Molmil
Crystal structure of XIAP-BIR2 domain with AVPI bound
分子名称: E3 ubiquitin-protein ligase XIAP, PEPTIDE (ALA-VAL-PRO-ILE), ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-02-06
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
4J45
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Crystal structure of XIAP-BIR2 domain with ATAA bound
分子名称: E3 ubiquitin-protein ligase XIAP, PEPTIDE (ALA-THR-ALA-ALA), ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-02-06
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
4J44
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BU of 4j44 by Molmil
Crystal structure of XIAP-BIR2 domain with AIAV bound
分子名称: E3 ubiquitin-protein ligase XIAP, PEPTIDE (ALA-ILE-ALA-VAL), ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-02-06
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
4KJU
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BU of 4kju by Molmil
Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor.
分子名称: E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
4KJV
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BU of 4kjv by Molmil
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
分子名称: 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
4MU7
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BU of 4mu7 by Molmil
Crystal structure of cIAP1 BIR3 bound to T3450325
分子名称: (3S,10aS)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Snell, G.P, Dougan, D.R.
登録日2013-09-20
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells.
Bioorg.Med.Chem., 21, 2013
4MTI
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BU of 4mti by Molmil
Crystal structure of cIAP1 BIR3 bound to T3258042
分子名称: (3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
著者Snell, G.P, Dougan, D.R.
登録日2013-09-19
公開日2013-12-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells.
Bioorg.Med.Chem., 21, 2013
4KMN
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Structure of cIAP1-BIR3 and inhibitor
分子名称: (2S)-N-{(2R)-1-[(2R,4S)-2-{[6,6'-difluoro-3'-({(2R,4S)-4-hydroxy-1-[(2S)-2-{[(2S)-2-(methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-yl}methyl)-1H,1'H-2,2'-biindol-3-yl]methyl}-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl}-2-(methylamino)propanamide, Baculoviral IAP repeat-containing protein 2, PHOSPHATE ION, ...
著者Li, X, Wang, J, Condon, S.M, Shi, Y.
登録日2013-05-08
公開日2014-05-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.523 Å)
主引用文献Structure of cIAP1-BIR3 and inhibitor
To be Published
4KMP
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Structure of XIAP-BIR3 and inhibitor
分子名称: (2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide], E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Li, X, Wang, J, Condon, S.M, Shi, Y.
登録日2013-05-08
公開日2014-05-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of XIAP-BIR3 and inhibitor
To be Published
4MTZ
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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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件を2024-05-15に公開中

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