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
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1C9Q
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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: | 2019-10-16 | 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
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7NK0
| Structure of the BIR1 domain of cIAP2 | Descriptor: | Baculoviral IAP repeat-containing protein 3, ZINC ION | Authors: | Cossu, F, Milani, M, Mastrangelo, E, Mirdita, D. | Deposit date: | 2021-02-17 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | 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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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
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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
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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
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2VM5
| HUMAN BIR2 DOMAIN OF BACULOVIRAL INHIBITOR OF APOPTOSIS REPEAT- CONTAINING 1 (BIRC1) | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 1, GLYCEROL, ZINC ION | Authors: | Herman, M.D, Welin, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-23 | Release date: | 2008-01-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of Bir Domains from Human Naip and Ciap2. Acta Crystallogr.,Sect.F, 65, 2009
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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 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Apo structure BIR2 Domain of BIRC2 To Be Published
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2VSL
| Crystal Structure of XIAP BIR3 with a Bivalent Smac Mimetic | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, PEPTIDE (MAA-LYS-PRO-PHE), POLYETHYLENE GLYCOL (N=34), ... | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2008-04-24 | Release date: | 2008-09-02 | Last modified: | 2016-12-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Interaction of a Cyclic, Bivalent Smac Mimetic with the X-Linked Inhibitor of Apoptosis Protein. Biochemistry, 47, 2008
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6SHO
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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
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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
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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
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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
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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
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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
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2JK7
| XIAP BIR3 bound to a Smac Mimetic | Descriptor: | (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE, BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, ZINC ION | Authors: | Saito, N.G, Meagher, J.L, Stuckey, J.A. | Deposit date: | 2008-08-21 | Release date: | 2008-11-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structure-Based Design, Synthesis, Evaluation, and Crystallographic Studies of Conformationally Constrained Smac Mimetics as Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (Xiap). J.Med.Chem., 51, 2008
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3G76
| Crystal structure of XIAP-BIR3 in complex with a bivalent compound | Descriptor: | 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 | Authors: | Cossu, F, Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2009-02-09 | Release date: | 2009-05-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for bivalent smac-mimetics recognition in the IAP protein family J.Mol.Biol., 392, 2009
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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
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4A0J
| Crystal structure of Survivin bound to the phosphorylated N-terminal tail of histone H3 | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 5, HISTONE H3 PEPTIDE, ZINC ION | Authors: | Jeyaprakash, A.A, Basquin, C, Jayachandran, U, Conti, E. | Deposit date: | 2011-09-09 | Release date: | 2011-11-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | 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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4A0I
| Crystal structure of Survivin bound to the N-terminal tail of hSgo1 | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 5, SHUGOSHIN-LIKE 1, ZINC ION | Authors: | Jeyaprakash, A.A, Basquin, C, Jayachandran, U, Conti, E. | Deposit date: | 2011-09-09 | Release date: | 2011-11-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.605 Å) | Cite: | 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 | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 5, HISTONE H3 PEPTIDE, ZINC ION | Authors: | Jeyaprakash, A.A, Basquin, C, Jayachandran, U, Conti, E. | Deposit date: | 2011-09-09 | Release date: | 2011-11-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.743 Å) | Cite: | 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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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
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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
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