1N7T
 
 | | ERBIN PDZ domain bound to a phage-derived peptide | | Descriptor: | 99-mer peptide of densin-180-like protein, phage-derived peptide | | Authors: | Skelton, N.J, Koehler, M.F.T, Zobel, K, Wong, W.L, Yeh, S, Pisabarro, M.T, Yin, J.P, Lasky, L.A, Sidhu, S.S. | | Deposit date: | 2002-11-16 | | Release date: | 2003-01-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Origins of PDZ domain ligand specificity. Structure determination and mutagenesis of the Erbin PDZ domain.
J.Biol.Chem., 278, 2003
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2YXJ
 | | Crystal structure of Bcl-xL in complex with ABT-737 | | Descriptor: | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, Apoptosis regulator Bcl-X, CHLORIDE ION, ... | | Authors: | Czabotar, P.E, Lee, E.F, Smith, B.J, Deshayes, K, Zobel, K, Fairlie, W.D, Colman, P.M. | | Deposit date: | 2007-04-26 | | Release date: | 2007-05-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of ABT-737 complexed with Bcl-xL: implications for selectivity of antagonists of the Bcl-2 family
Cell Death Differ., 14, 2007
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3T6P
 | | IAP antagonist-induced conformational change in cIAP1 promotes E3 ligase activation via dimerization | | Descriptor: | Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Dueber, E.C, Schoeffler, A.J, Lingel, A, Elliott, M, Fedorova, A.V, Giannetti, A.M, Zobel, K, Maurer, B, Varfolomeev, E, Wu, P, Wallweber, H, Hymowitz, S, Deshayes, K, Vucic, D, Fairbrother, W.J. | | Deposit date: | 2011-07-28 | | Release date: | 2011-11-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Antagonists induce a conformational change in cIAP1 that promotes autoubiquitination.
Science, 334, 2011
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1GJG
 | | Peptide Antagonist of IGFBP1, (i,i+8) Covalently Restrained Analog, Minimized Average Structure | | Descriptor: | IGFBP-1 antagonist, PENTANE | | Authors: | Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. | | Deposit date: | 2001-05-11 | | Release date: | 2001-05-30 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
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1IN3
 | | Peptide Antagonist of IGFBP1, (i,i+8) Covalently Restrained Analog | | Descriptor: | IGFBP-1 antagonist, PENTANE | | Authors: | Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. | | Deposit date: | 2001-05-11 | | Release date: | 2001-05-30 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
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1GJF
 | | Peptide Antagonist of IGFBP1, (i,i+7) Covalently Restrained Analog, Minimized Average Structure | | Descriptor: | IGFBP-1 antagonist, PENTANE | | Authors: | Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. | | Deposit date: | 2001-05-11 | | Release date: | 2001-05-30 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
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1IN2
 | | Peptide Antagonist of IGFBP1, (i,i+7) Covalently Restrained Analog | | Descriptor: | IGFBP-1 antagonist, PENTANE | | Authors: | Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. | | Deposit date: | 2001-05-11 | | Release date: | 2001-05-30 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
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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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4QVX
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3S1B
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3S1K
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3UW5
 | | Crystal structure of the BIR domain of MLIAP bound to GDC0152 | | Descriptor: | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ... | | Authors: | Maurer, B, Hymowitz, S.G. | | Deposit date: | 2011-11-30 | | Release date: | 2012-02-22 | | Last modified: | 2017-08-02 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).
J.Med.Chem., 55, 2012
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3UW4
 | | Crystal structure of cIAP1 BIR3 bound to GDC0152 | | Descriptor: | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4, GDC0152, ... | | Authors: | Maurer, B, Hymowitz, S. | | Deposit date: | 2011-11-30 | | Release date: | 2012-02-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).
J.Med.Chem., 55, 2012
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2YQ7
 | | Structure of Bcl-xL bound to BimLOCK | | Descriptor: | BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11, GLYCEROL | | Authors: | Smith, B.J, Czabotar, P.E. | | Deposit date: | 2012-11-06 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity.
Acs Chem.Biol., 8, 2013
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2YQ6
 | | Structure of Bcl-xL bound to BimSAHB | | Descriptor: | BCL-2-LIKE PROTEIN 1, BIM BETA 5, GLYCEROL | | Authors: | Smith, B.J, Czabotar, P.E. | | Deposit date: | 2012-11-06 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity.
Acs Chem.Biol., 8, 2013
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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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3ZLR
 | | Crystal structure of BCL-XL in complex with inhibitor (WEHI-539) | | Descriptor: | 1,2-ETHANEDIOL, 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | | Deposit date: | 2013-02-04 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.026 Å) | | Cite: | Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
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3ZLO
 | | Crystal structure of BCL-XL in complex with inhibitor (Compound 6) | | Descriptor: | 2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-5-(4-phenylbutyl)-1,3-thiazole-4-carboxylic acid, BCL-2-LIKE PROTEIN 1 | | Authors: | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | | Deposit date: | 2013-02-04 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
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3ZK6
 | | Crystal structure of Bcl-xL in complex with inhibitor (Compound 2). | | Descriptor: | BCL-2-LIKE PROTEIN 1, N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide | | Authors: | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | | Deposit date: | 2013-01-22 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
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3ZLN
 | | Crystal structure of BCL-XL in complex with inhibitor (Compound 3) | | Descriptor: | 1,2-ETHANEDIOL, 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid, BCL-2-LIKE PROTEIN 1, ... | | Authors: | Czabotar, P.E, Lessene, G.L, Smith, B.J, Colman, P.M. | | Deposit date: | 2013-02-04 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.288 Å) | | Cite: | Structure-Guided Design of a Selective Bcl-Xl Inhibitor
Nat.Chem.Biol., 9, 2013
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1GJE
 | | Peptide Antagonist of IGFBP-1, Minimized Average Structure | | Descriptor: | IGFBP-1 antagonist | | Authors: | Lowman, H.B, Chen, Y.M, Skelton, N.J, Mortensen, D.L, Tomlinson, E.E, Sadick, M.D, Robinson, I.C, Clark, R.G. | | Deposit date: | 2001-05-11 | | Release date: | 2001-05-30 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
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1IMW
 | | Peptide Antagonist of IGFBP-1 | | Descriptor: | IGFBP-1 antagonist | | Authors: | Lowman, H.B, Chen, Y.M, Skelton, N.J, Mortensen, D.L, Tomlinson, E.E, Sadick, M.D, Robinson, I.C, Clark, R.G. | | Deposit date: | 2001-05-11 | | Release date: | 2001-05-30 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1.
Biochemistry, 40, 2001
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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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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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