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 | | 分子名称: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ... | | 著者 | Pokross, M.E. | | 登録日 | 2014-11-07 | | 公開日 | 2015-05-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | 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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2I3H
 | | Structure of an ML-IAP/XIAP chimera bound to a 4-mer peptide (AVPW) | | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AVPW peptide, ... | | 著者 | Fairbrother, W.J, Franklin, M.C. | | 登録日 | 2006-08-18 | | 公開日 | 2006-09-19 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | 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 | | 分子名称: | (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 | | 著者 | Saito, N.G, Meagher, J.L, Stuckey, J.A. | | 登録日 | 2008-08-21 | | 公開日 | 2008-11-04 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | 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
 | | Structure of cIAP with compound 15 | | 分子名称: | 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 | | 著者 | Calabrese, M.F, Schiemer, J.S. | | 登録日 | 2020-03-18 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Structural Characterization of BTK:PROTAC:cIAP Ternary Complexes: From Snapshots to Ensembles
Nat.Chem.Biol., 2020
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1E31
 | | SURVIVIN DIMER H. SAPIENS | | 分子名称: | APOPTOSIS INHIBITOR SURVIVIN, COBALT (II) ION, ZINC ION | | 著者 | Chantalat, L, Skoufias, D.A, Margolis, R.L, Dideberg, O. | | 登録日 | 2000-06-04 | | 公開日 | 2001-01-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | 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
 | | SOLUTION STRUCTURE OF HUMAN SURVIVIN | | 分子名称: | Apoptosis inhibitor survivin, ZINC ION | | 著者 | Sun, C, Nettesheim, D, Liu, Z, Olejniczak, E.T. | | 登録日 | 2004-10-07 | | 公開日 | 2005-01-18 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of human survivin and its binding interface with smac/diablo
Biochemistry, 44, 2005
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1F3H
 | | X-RAY CRYSTAL STRUCTURE OF THE HUMAN ANTI-APOPTOTIC PROTEIN SURVIVIN | | 分子名称: | SULFATE ION, SURVIVIN, ZINC ION | | 著者 | Verdecia, M.A, Huang, H, Dutil, E, Hunter, T, Noel, J.P. | | 登録日 | 2000-06-03 | | 公開日 | 2000-12-06 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Structure of the human anti-apoptotic protein survivin reveals a dimeric arrangement.
Nat.Struct.Biol., 7, 2000
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6EY2
 | | Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM | | 分子名称: | (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 | | 著者 | Cossu, F, Corti, A, Milani, M, Mastrangelo, E. | | 登録日 | 2017-11-10 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
FEBS J., 285, 2018
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6EXW
 | | Crystal structure of cIAP1-BIR3 in complex with a covalently bound SM | | 分子名称: | (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 | | 著者 | Corti, A, Cossu, F, Milani, M, Mastrangelo, E. | | 登録日 | 2017-11-10 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
FEBS J., 285, 2018
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2VM5
 | | HUMAN BIR2 DOMAIN OF BACULOVIRAL INHIBITOR OF APOPTOSIS REPEAT- CONTAINING 1 (BIRC1) | | 分子名称: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 1, GLYCEROL, ZINC ION | | 著者 | 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) | | 登録日 | 2008-01-23 | | 公開日 | 2008-01-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structures of Bir Domains from Human Naip and Ciap2.
Acta Crystallogr.,Sect.F, 65, 2009
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2UVL
 | | Human BIR3 domain of Baculoviral Inhibitor of Apoptosis Repeat- Containing 3 (BIRC3) | | 分子名称: | BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 3, GLYCEROL, ZINC ION | | 著者 | 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. | | 登録日 | 2007-03-12 | | 公開日 | 2007-03-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Structures of Bir Domains from Human Naip and Ciap2.
Acta Crystallogr.,Sect.F, 65, 2009
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2VSL
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4HY4
 | | Crystal structure of cIAP1 BIR3 bound to T3170284 | | 分子名称: | (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 | | 著者 | Dougan, D.R, Mol, C.D, Snell, G.P. | | 登録日 | 2012-11-12 | | 公開日 | 2013-01-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.249 Å) | | 主引用文献 | 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
 | | Crystal structure of cIAP1 BIR3 bound to T3256336 | | 分子名称: | (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 | | 著者 | Dougan, D.R, Snell, G.P. | | 登録日 | 2012-11-13 | | 公開日 | 2013-01-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | | 主引用文献 | 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
 | | Structure of XIAP-BIR1 domain in complex with an NF023 analog | | 分子名称: | 4-[[3-[[3-[(4,8-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]naphthalene-1,5-disulfonate, E3 ubiquitin-protein ligase XIAP, ZINC ION | | 著者 | Sorrentino, L, Cossu, F, Malkoc, B, Zaffaroni, M, Milani, M, Mastrangelo, E. | | 登録日 | 2018-05-17 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Activity Relationship of NF023 Derivatives Binding to XIAP-BIR1.
Chemistryopen, 8, 2019
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4HY0
 | | Crystal structure of XIAP BIR3 with T3256336 | | 分子名称: | (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 | | 著者 | Snell, G.S, Dougan, D.R. | | 登録日 | 2012-11-12 | | 公開日 | 2013-01-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | 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
 | | Fragment Derived XIAP inhibitor | | 分子名称: | 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, ... | | 著者 | Williams, P.A. | | 登録日 | 2018-07-30 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | 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
 | | Crystal structure of XIAP BIR1 domain (I222 form) | | 分子名称: | Baculoviral IAP repeat-containing protein 4, ZINC ION | | 著者 | Lin, S. | | 登録日 | 2007-04-26 | | 公開日 | 2007-07-03 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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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2OPY
 | | Smac mimic bound to BIR3-XIAP | | 分子名称: | 1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL-4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN, Baculoviral IAP repeat-containing protein 4, ZINC ION | | 著者 | Wist, A.D, Lu, G, Riedl, S.J, Shi, Y, McLendon, G.L. | | 登録日 | 2007-01-30 | | 公開日 | 2007-02-20 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | 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
 | | AVPF bound to BIR3-XIAP | | 分子名称: | AVPF (Smac homologue, N-terminal tetrapeptide), Baculoviral IAP repeat-containing protein 4, ... | | 著者 | Wist, A.D. | | 登録日 | 2007-01-30 | | 公開日 | 2007-02-20 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | 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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7LBK
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7LBP
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