4WVS
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![BU of 4wvs by Molmil](/molmil-images/mine/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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3SIQ
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![BU of 3siq by Molmil](/molmil-images/mine/3siq) | |
2I3H
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![BU of 2i3h by Molmil](/molmil-images/mine/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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2JK7
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![BU of 2jk7 by Molmil](/molmil-images/mine/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: | 2024-05-01 | 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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6W74
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![BU of 6w74 by Molmil](/molmil-images/mine/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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1E31
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![BU of 1e31 by Molmil](/molmil-images/mine/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
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1XOX
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![BU of 1xox by Molmil](/molmil-images/mine/1xox) | SOLUTION STRUCTURE OF HUMAN SURVIVIN | Descriptor: | Apoptosis inhibitor survivin, ZINC ION | Authors: | Sun, C, Nettesheim, D, Liu, Z, Olejniczak, E.T. | Deposit date: | 2004-10-07 | Release date: | 2005-01-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of human survivin and its binding interface with smac/diablo Biochemistry, 44, 2005
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1F3H
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![BU of 1f3h by Molmil](/molmil-images/mine/1f3h) | X-RAY CRYSTAL STRUCTURE OF THE HUMAN ANTI-APOPTOTIC PROTEIN SURVIVIN | Descriptor: | SULFATE ION, SURVIVIN, ZINC ION | Authors: | Verdecia, M.A, Huang, H, Dutil, E, Hunter, T, Noel, J.P. | Deposit date: | 2000-06-03 | Release date: | 2000-12-06 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure of the human anti-apoptotic protein survivin reveals a dimeric arrangement. Nat.Struct.Biol., 7, 2000
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6EY2
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![BU of 6ey2 by Molmil](/molmil-images/mine/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
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6EXW
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![BU of 6exw by Molmil](/molmil-images/mine/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
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2VM5
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![BU of 2vm5 by Molmil](/molmil-images/mine/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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2UVL
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![BU of 2uvl by Molmil](/molmil-images/mine/2uvl) | Human BIR3 domain of Baculoviral Inhibitor of Apoptosis Repeat- Containing 3 (BIRC3) | Descriptor: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 3, GLYCEROL, ZINC ION | Authors: | Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Upsten, M, Van Den Berg, S, Weigelt, J, Nordlund, P. | Deposit date: | 2007-03-12 | Release date: | 2007-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structures of Bir Domains from Human Naip and Ciap2. Acta Crystallogr.,Sect.F, 65, 2009
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2VSL
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![BU of 2vsl by Molmil](/molmil-images/mine/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: | 2024-05-01 | 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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4HY4
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![BU of 4hy4 by Molmil](/molmil-images/mine/4hy4) | Crystal structure of cIAP1 BIR3 bound to T3170284 | Descriptor: | (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 | Authors: | Dougan, D.R, Mol, C.D, Snell, G.P. | Deposit date: | 2012-11-12 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.249 Å) | Cite: | 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
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4HY5
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![BU of 4hy5 by Molmil](/molmil-images/mine/4hy5) | Crystal structure of cIAP1 BIR3 bound to T3256336 | Descriptor: | (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 | Authors: | Dougan, D.R, Snell, G.P. | Deposit date: | 2012-11-13 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | 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
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6GJW
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![BU of 6gjw by Molmil](/molmil-images/mine/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
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4HY0
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![BU of 4hy0 by Molmil](/molmil-images/mine/4hy0) | Crystal structure of XIAP BIR3 with T3256336 | Descriptor: | (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 | Authors: | Snell, G.S, Dougan, D.R. | Deposit date: | 2012-11-12 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | 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
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6H6R
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![BU of 6h6r by Molmil](/molmil-images/mine/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
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2POI
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![BU of 2poi by Molmil](/molmil-images/mine/2poi) | Crystal structure of XIAP BIR1 domain (I222 form) | Descriptor: | Baculoviral IAP repeat-containing protein 4, ZINC ION | Authors: | Lin, S. | Deposit date: | 2007-04-26 | Release date: | 2007-07-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization. Mol.Cell, 26, 2007
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4J47
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![BU of 4j47 by Molmil](/molmil-images/mine/4j47) | Crystal structure of XIAP-BIR2 domain with SVPI bound | Descriptor: | E3 ubiquitin-protein ligase XIAP, PEPTIDE (SER-VAL-PRO-ILE), ZINC ION | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2013-02-06 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The structure of XIAP BIR2: understanding the selectivity of the BIR domains. Acta Crystallogr.,Sect.D, 69, 2013
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2OPY
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![BU of 2opy by Molmil](/molmil-images/mine/2opy) | Smac mimic bound to BIR3-XIAP | Descriptor: | 1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL-4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN, Baculoviral IAP repeat-containing protein 4, ZINC ION | Authors: | Wist, A.D, Lu, G, Riedl, S.J, Shi, Y, McLendon, G.L. | Deposit date: | 2007-01-30 | Release date: | 2007-02-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-activity based study of the Smac-binding pocket within the BIR3 domain of XIAP. Bioorg.Med.Chem., 15, 2007
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2OPZ
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![BU of 2opz by Molmil](/molmil-images/mine/2opz) | AVPF bound to BIR3-XIAP | Descriptor: | AVPF (Smac homologue, N-terminal tetrapeptide), Baculoviral IAP repeat-containing protein 4, ... | Authors: | Wist, A.D. | Deposit date: | 2007-01-30 | Release date: | 2007-02-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-activity based study of the Smac-binding pocket within the BIR3 domain of XIAP. Bioorg.Med.Chem., 15, 2007
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7LBQ
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![BU of 7lbq by Molmil](/molmil-images/mine/7lbq) | |
7LBK
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![BU of 7lbk by Molmil](/molmil-images/mine/7lbk) | |
7LBP
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![BU of 7lbp by Molmil](/molmil-images/mine/7lbp) | |