1E31
 
 | | SURVIVIN DIMER H. SAPIENS | | Descriptor: | APOPTOSIS INHIBITOR SURVIVIN, COBALT (II) ION, ZINC ION | | Authors: | Chantalat, L, Skoufias, D.A, Margolis, R.L, Dideberg, O. | | Deposit date: | 2000-06-04 | | Release date: | 2001-01-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal Structure of Human Survivin Reveals a Bow Tie-Shaped Dimer with Two Unusual Alpha-Helical Extensions
Mol.Cell, 6, 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
|
|
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
|
|
1C9Q
 | |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
6W74
 | | Structure of cIAP with compound 15 | | Descriptor: | 14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate, Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Calabrese, M.F, Schiemer, J.S. | | Deposit date: | 2020-03-18 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structural Characterization of BTK:PROTAC:cIAP Ternary Complexes: From Snapshots to Ensembles
Nat.Chem.Biol., 2020
|
|
6SHO
 | |
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
|
|
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
|
|
6GJW
 | | Structure of XIAP-BIR1 domain in complex with an NF023 analog | | Descriptor: | 4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Sorrentino, L, Cossu, F, Malkoc, B, Zaffaroni, M, Milani, M, Mastrangelo, E. | | Deposit date: | 2018-05-17 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Activity Relationship of NF023 Derivatives Binding to XIAP-BIR1.
Chemistryopen, 8, 2019
|
|
2I3H
 | | Structure of an ML-IAP/XIAP chimera bound to a 4-mer peptide (AVPW) | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AVPW peptide, ... | | 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 (1.62 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
|
|
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
|
|
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
|
|
6H6R
 | | Fragment Derived XIAP inhibitor | | Descriptor: | 2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | | Authors: | Williams, P.A. | | Deposit date: | 2018-07-30 | | Release date: | 2018-08-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.03 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
|
|
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
|
|
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
|
|
4WVS
 | | Crystal structure of XIAP-BIR2 domain complexed with (S)-3-(4-methoxyphenyl)-2-((S)-2-((S)-1-((S)-2-((S)-2-(methylamino)propanamido)pent-4-ynoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)propanoic acid | | 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: | 2015-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.09 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
|
|
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
|
|
