5C83
| Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | 分子名称: | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-25 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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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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3UIH
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3UEH
| 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
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3UIG
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3UII
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3UEE
| 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
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3UED
| 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
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3UW5
| Crystal structure of the BIR domain of MLIAP bound to GDC0152 | 分子名称: | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ... | 著者 | Maurer, B, Hymowitz, S.G. | 登録日 | 2011-11-30 | 公開日 | 2012-02-22 | 最終更新日 | 2017-08-02 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
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3UW4
| Crystal structure of cIAP1 BIR3 bound to GDC0152 | 分子名称: | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4, GDC0152, ... | 著者 | Maurer, B, Hymowitz, S. | 登録日 | 2011-11-30 | 公開日 | 2012-02-22 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
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4A0I
| Crystal structure of Survivin bound to the N-terminal tail of hSgo1 | 分子名称: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 5, SHUGOSHIN-LIKE 1, ZINC ION | 著者 | Jeyaprakash, A.A, Basquin, C, Jayachandran, U, Conti, E. | 登録日 | 2011-09-09 | 公開日 | 2011-11-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.605 Å) | 主引用文献 | Structural Basis for the Recognition of Phosphorylated Histone H3 by the Survivin Subunit of the Chromosomal Passenger Complex. Structure, 19, 2011
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4A0J
| Crystal structure of Survivin bound to the phosphorylated N-terminal tail of histone H3 | 分子名称: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 5, HISTONE H3 PEPTIDE, ZINC ION | 著者 | Jeyaprakash, A.A, Basquin, C, Jayachandran, U, Conti, E. | 登録日 | 2011-09-09 | 公開日 | 2011-11-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.803 Å) | 主引用文献 | Structural Basis for the Recognition of Phosphorylated Histone H3 by the Survivin Subunit of the Chromosomal Passenger Complex. Structure, 19, 2011
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4A0N
| Crystal structure of Survivin bound to the phosphorylated N-terminal tail of histone H3 | 分子名称: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 5, HISTONE H3 PEPTIDE, ZINC ION | 著者 | Jeyaprakash, A.A, Basquin, C, Jayachandran, U, Conti, E. | 登録日 | 2011-09-09 | 公開日 | 2011-11-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.743 Å) | 主引用文献 | Structural Basis for the Recognition of Phosphorylated Histone H3 by the Survivin Subunit of the Chromosomal Passenger Complex. Structure, 19, 2011
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4J46
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4J45
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4LGE
| 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
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4LGU
| 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 | 2024-05-22 | 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
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4KMP
| 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
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4KJU
| 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
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4J44
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4KMN
| 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
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4KJV
| 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
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4J3Y
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4J48
| 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
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4MTI
| 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
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