1F9X
 
 | | AVERAGE NMR SOLUTION STRUCTURE OF THE BIR-3 DOMAIN OF XIAP | | Descriptor: | INHIBITOR OF APOPTOSIS PROTEIN XIAP, ZINC ION | | Authors: | Sun, C, Cai, M, Meadows, R.P, Fesik, S.W. | | Deposit date: | 2000-07-11 | | Release date: | 2001-07-11 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure and mutagenesis of the third Bir domain of the inhibitor of apoptosis protein XIAP.
J.Biol.Chem., 275, 2000
|
|
5OQW
 | | XIAP in complex with small molecule | | Descriptor: | 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | | Authors: | Williams, P.A. | | Deposit date: | 2017-08-14 | | Release date: | 2018-06-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | ASTX660, a Novel Non-peptidomimetic Antagonist of cIAP1/2 and XIAP, Potently Induces TNF alpha-Dependent Apoptosis in Cancer Cell Lines and Inhibits Tumor Growth.
Mol. Cancer Ther., 17, 2018
|
|
6SHO
 | |
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
|
|
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
|
|
6H6Q
 | | Fragment Derived XIAP inhibitor | | Descriptor: | 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Williams, P.A. | | Deposit date: | 2018-07-30 | | Release date: | 2018-08-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660).
J. Med. Chem., 61, 2018
|
|
4MU7
 | | Crystal structure of cIAP1 BIR3 bound to T3450325 | | Descriptor: | (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 | | Authors: | Snell, G.P, Dougan, D.R. | | Deposit date: | 2013-09-20 | | Release date: | 2013-12-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | 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
|
|
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
|
|
1G3F
 | | NMR STRUCTURE OF A 9 RESIDUE PEPTIDE FROM SMAC/DIABLO COMPLEXED TO THE BIR3 DOMAIN OF XIAP | | Descriptor: | INHIBITOR OF APOPTOSIS PROTEIN 3, SMAC, ZINC ION | | Authors: | Liu, Z, Sun, C, Olejniczak, E.T, Meadows, R.P, Betz, S.F, Oost, T, Herrmann, J, Wu, J.C, Fesik, S.W. | | Deposit date: | 2000-10-24 | | Release date: | 2001-01-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis for binding of Smac/DIABLO to the XIAP BIR3 domain.
Nature, 408, 2000
|
|
7QGJ
 | | Apo structure of BIR2 Domain of BIRC2 | | Descriptor: | 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Kraemer, A, Farges, F, Schwalm, M.P, Saxena, K, Preuss, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-12-08 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Apo structure BIR2 Domain of BIRC2
To Be Published
|
|
7TRM
 | | Crystal structure of human BIRC2 BIR3 domain in complex with inhibitor LCL-161 | | Descriptor: | 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 2, LCL-161, ... | | Authors: | Tencer, A.H, Klein, B.J, Kutateladze, T.G. | | Deposit date: | 2022-01-29 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis for nuclear accumulation and targeting of the inhibitor of apoptosis BIRC2.
Nat.Struct.Mol.Biol., 30, 2023
|
|
7TRL
 | | Crystal structure of human BIRC2 BIR3 domain in complex with histone H3 | | Descriptor: | 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 2, Histone H3, ... | | Authors: | Klein, B.J, Tencer, A.H, Kutateladze, T.G. | | Deposit date: | 2022-01-29 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Molecular basis for nuclear accumulation and targeting of the inhibitor of apoptosis BIRC2.
Nat.Struct.Mol.Biol., 30, 2023
|
|
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
|
|
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
|
|
3GT9
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | Descriptor: | Baculoviral IAP repeat-containing 7, N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide, ZINC ION | | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | | Deposit date: | 2009-03-27 | | Release date: | 2010-03-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
2QRA
 | | Crystal structure of XIAP BIR1 domain (P21 form) | | Descriptor: | Baculoviral IAP repeat-containing protein 4, ETHANOL, ZINC ION | | Authors: | Lin, S.-C. | | Deposit date: | 2007-07-27 | | Release date: | 2007-09-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the BIR1 domain of XIAP in two crystal forms
J.Mol.Biol., 372, 2007
|
|
1XB0
 | | Structure of the BIR domain of IAP-like protein 2 | | Descriptor: | Baculoviral IAP repeat-containing protein 8, Diablo homolog, mitochondrial, ... | | Authors: | Shin, H, Renatus, M, Eckelman, B.P, Nunes, V.A, Sampaio, C.A.M, Salvesen, G.S. | | Deposit date: | 2004-08-27 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The BIR domain of IAP-like protein 2 is conformationally unstable: implications for caspase inhibition
Biochem.J., 385, 2005
|
|
1XB1
 | | The Structure of the BIR domain of IAP-like protein 2 | | Descriptor: | Baculoviral IAP repeat-containing protein 8, Diablo homolog, mitochondrial, ... | | Authors: | Shin, H, Renatus, M, Eckelman, B.P, Nunes, V.A, Sampaio, C.A.M, Salvesen, G.S. | | Deposit date: | 2004-08-27 | | Release date: | 2004-11-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The BIR domain of IAP-like protein 2 is conformationally unstable: implications for caspase inhibition
Biochem.J., 385, 2005
|
|
3GTA
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing 7, ... | | Authors: | Franklin, M.C, Fairbrother, W.J, Cohen, F. | | Deposit date: | 2009-03-27 | | Release date: | 2010-03-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
4WVT
 | | Crystal structure of XIAP-BIR2 domain complexed with ligand bound | | Descriptor: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Pokross, M.E. | | Deposit date: | 2014-11-07 | | Release date: | 2015-03-04 | | Last modified: | 2015-04-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
|
|
4WVU
 | | CRYSTAL STRUCTURE OF XIAP-BIR2 DOMAIN COMPLEXED WITH LIGAND BOUND | | Descriptor: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ... | | Authors: | Pokross, M.E. | | Deposit date: | 2014-11-07 | | Release date: | 2015-03-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
|
|
1C9Q
 | |
3HL5
 | | Crystal structure of XIAP BIR3 with CS3 | | Descriptor: | (3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | | Authors: | Hymowitz, S.G. | | Deposit date: | 2009-05-26 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Antagonism of c-IAP and XIAP proteins is required for efficient induction of cell death by small-molecule IAP antagonists.
Acs Chem.Biol., 4, 2009
|
|
8GH7
 | | 142D6 bound to BIR3-XIAP | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, BIR3 inhibitor MAA-CHG-PRO-ZHW, E3 ubiquitin-protein ligase XIAP, ... | | Authors: | Garza-Granados, A, McGuire, J, Baggio, C, Pellecchia, M, Pegan, S.D. | | Deposit date: | 2023-03-09 | | Release date: | 2023-07-05 | | Last modified: | 2023-07-12 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Characterization of a Potent and Orally Bioavailable Lys-Covalent Inhibitor of Apoptosis Protein (IAP) Antagonist.
J.Med.Chem., 66, 2023
|
|
2I3I
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | Descriptor: | (3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Fairbrother, W.J, Franklin, M.C. | | Deposit date: | 2006-08-18 | | Release date: | 2006-09-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs.
Acs Chem.Biol., 1, 2006
|
|
