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1XB0
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BU of 1xb0 by Molmil
Structure of the BIR domain of IAP-like protein 2
Descriptor: Baculoviral IAP repeat-containing protein 8, Diablo homolog, mitochondrial, ...
Authors:Shin, H, Renatus, M, Eckelman, B.P, Nunes, V.A, Sampaio, C.A.M, Salvesen, G.S.
Deposit date:2004-08-27
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The BIR domain of IAP-like protein 2 is conformationally unstable: implications for caspase inhibition
Biochem.J., 385, 2005
1XB1
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BU of 1xb1 by Molmil
The Structure of the BIR domain of IAP-like protein 2
Descriptor: Baculoviral IAP repeat-containing protein 8, Diablo homolog, mitochondrial, ...
Authors:Shin, H, Renatus, M, Eckelman, B.P, Nunes, V.A, Sampaio, C.A.M, Salvesen, G.S.
Deposit date:2004-08-27
Release date:2004-11-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The BIR domain of IAP-like protein 2 is conformationally unstable: implications for caspase inhibition
Biochem.J., 385, 2005
1TW6
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BU of 1tw6 by Molmil
Structure of an ML-IAP/XIAP chimera bound to a 9mer peptide derived from Smac
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ...
Authors:Franklin, M.C, Vucic, D, Wallweber, H.J.A, Das, K, Shin, H, Elliott, L.O, Kadkhodayan, S, Deshayes, K, Salvesen, G.S, Fairbrother, W.J.
Deposit date:2004-06-30
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.713 Å)
Cite:Engineering ML-IAP to produce an extraordinarily potent caspase 9 inhibitor: implications for Smac-dependent anti-apoptotic activity of ML-IAP
Biochem.J., 385, 2005
3ITN
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BU of 3itn by Molmil
Crystal structure of Pseudo-activated Procaspase-3
Descriptor: ACETYL-ASP-GLU-VAL-ASP-CHLOROMETHYL KETONE inhibitor, Caspase-3
Authors:Walters, J, Pop, C, Scott, F.L, Drag, M, Swartz, P.D, Mattos, C, Salvesen, G.S, Clark, A.C.
Deposit date:2009-08-28
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A constitutively active and uninhibitable caspase-3 zymogen efficiently induces apoptosis.
Biochem.J., 424, 2009
1I3O
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BU of 1i3o by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF XIAP-BIR2 AND CASPASE 3
Descriptor: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, CASPASE 3, ZINC ION
Authors:Riedl, S.J, Renatus, M, Schwarzenbacher, R, Zhou, Q, Sun, C, Fesik, S.W, Liddington, R.C, Salvesen, G.S.
Deposit date:2001-02-15
Release date:2001-03-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the inhibition of caspase-3 by XIAP.
Cell(Cambridge,Mass.), 104, 2001
1JXQ
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BU of 1jxq by Molmil
Structure of cleaved, CARD domain deleted Caspase-9
Descriptor: Caspase-9, benzoxycarbonyl-Val-Ala-Asp-fluoromethyl ketone Inhibitor
Authors:Renatus, M, Stennicke, H.R, Scott, F.L, Liddington, R.C, Salvesen, G.S.
Deposit date:2001-09-08
Release date:2001-12-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dimer formation drives the activation of the cell death protease caspase 9.
Proc.Natl.Acad.Sci.USA, 98, 2001
1KMC
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BU of 1kmc by Molmil
Crystal Structure of the Caspase-7 / XIAP-BIR2 Complex
Descriptor: Caspase-7, X-LINKED INHIBITOR OF APOPTOSIS PROTEIN
Authors:Riedl, S.J, Salvesen, G.S, Bode, W.
Deposit date:2001-12-14
Release date:2002-01-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of the Caspase-7 / XIAP-BIR2 Complex
TO BE PUBLISHED
1F0C
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BU of 1f0c by Molmil
STRUCTURE OF THE VIRAL SERPIN CRMA
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ICE INHIBITOR
Authors:Renatus, M, Zhou, Q, Stennicke, H.R, Snipas, S.J, Turk, D, Bankston, L.A, Liddington, R.C, Salvesen, G.S.
Deposit date:2000-05-15
Release date:2000-09-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of the apoptotic suppressor CrmA in its cleaved form.
Structure Fold.Des., 8, 2000
2C2O
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BU of 2c2o by Molmil
Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-{4-[BENZYL(METHYL) AMINO]-4-OXOBUTANOYL}-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID, ...
Authors:Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C.
Deposit date:2005-09-29
Release date:2006-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
2C2M
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BU of 2c2m by Molmil
Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-[4-(BENZYLOXY)-4-OXOBUTANOYL]-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14 -PENTAAZAHEXADECAN-16-OIC ACID, ...
Authors:Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C.
Deposit date:2005-09-29
Release date:2006-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
2C2K
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BU of 2c2k by Molmil
Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ...
Authors:Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A.J, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C.
Deposit date:2005-09-29
Release date:2006-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
2BID
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BU of 2bid by Molmil
HUMAN PRO-APOPTOTIC PROTEIN BID
Descriptor: PROTEIN (BID)
Authors:Chou, J.J, Li, H, Salvesen, G.S, Yuan, J, Wagner, G.
Deposit date:1999-01-27
Release date:2000-02-02
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of BID, an intracellular amplifier of apoptotic signaling.
Cell(Cambridge,Mass.), 96, 1999
2C2Z
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BU of 2c2z by Molmil
Crystal structure of caspase-8 in complex with aza-peptide Michael acceptor inhibitor
Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL) -14-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL] -11-[(1R)-1-HYDROXYETHYL]-5-(2-METHYLPROPYL)-3,6,9,12-TETRAOXO -1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID, ...
Authors:Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A.J, Mikolajczyk, J, Salvesen, G.S, Powers, J.C, Gruetter, M.G.
Deposit date:2005-10-02
Release date:2006-09-20
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
4K1T
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BU of 4k1t by Molmil
Gly-Ser-SplB protease from Staphylococcus aureus at 1.60 A resolution
Descriptor: CHLORIDE ION, SULFATE ION, Serine protease SplB, ...
Authors:Zdzalik, M, Pustelny, K, Stec-Niemczyk, J, Cichon, P, Czarna, A, Popowicz, G, Drag, M, Wladyka, B, Potempa, J, Dubin, A, Dubin, G.
Deposit date:2013-04-05
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Staphylococcal SplB Serine Protease Utilizes a Novel Molecular Mechanism of Activation.
J.Biol.Chem., 289, 2014
4K1S
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BU of 4k1s by Molmil
Gly-Ser-SplB protease from Staphylococcus aureus at 1.96 A resolution
Descriptor: Serine protease SplB
Authors:Zdzalik, M, Pustelny, K, Stec-Niemczyk, J, Cichon, P, Czarna, A, Popowicz, G, Drag, M, Wladyka, B, Potempa, J, Dubin, A, Dubin, G.
Deposit date:2013-04-05
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Staphylococcal SplB Serine Protease Utilizes a Novel Molecular Mechanism of Activation.
J.Biol.Chem., 289, 2014
3EZQ
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BU of 3ezq by Molmil
Crystal Structure of the Fas/FADD Death Domain Complex
Descriptor: Protein FADD, SODIUM ION, SULFATE ION, ...
Authors:Schwarzenbacher, R, Robinson, H, Stec, B, Riedl, S.J.
Deposit date:2008-10-23
Release date:2008-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:The Fas-FADD death domain complex structure unravels signalling by receptor clustering
Nature, 457, 2009
1GQF
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BU of 1gqf by Molmil
Crystal structure of human procaspase-7
Descriptor: Caspase-7, SULFATE ION
Authors:Riedl, S, Bode, W, Fuentes-Prior, P.
Deposit date:2001-11-23
Release date:2002-01-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the activation of human procaspase-7.
Proc. Natl. Acad. Sci. U.S.A., 98, 2001
2C1E
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BU of 2c1e by Molmil
Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ...
Authors:Grutter, M.G.
Deposit date:2005-09-14
Release date:2006-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
3GT9
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BU of 3gt9 by Molmil
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
3GTA
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BU of 3gta by Molmil
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
1OY7
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BU of 1oy7 by Molmil
Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AEVVAVKSE peptide, Baculoviral IAP repeat-containing protein 7, ...
Authors:Franklin, M.C, Kadkhodayan, S, Ackerly, H, Alexandru, D, Distefano, M.D, Elliott, L.O, Flygare, J.A, Vucic, D, Deshayes, K, Fairbrother, W.J.
Deposit date:2003-04-03
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)
Biochemistry, 42, 2003
1OXN
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BU of 1oxn by Molmil
Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AEAVPWKSE peptide, Baculoviral IAP repeat-containing protein 7, ...
Authors:Franklin, M.C, Kadkhodayan, S, Ackerly, H, Alexandru, D, Distefano, M.D, Elliott, L.O, Flygare, J.A, Vucic, D, Deshayes, K, Fairbrother, W.J.
Deposit date:2003-04-03
Release date:2003-08-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)
Biochemistry, 42, 2003
1OXQ
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BU of 1oxq by Molmil
Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, AVPIAQKSE (Smac) peptide, Baculoviral IAP repeat-containing protein 7, ...
Authors:Franklin, M.C, Kadkhodayan, S, Ackerly, H, Alexandru, D, Distefano, M.D, Elliott, L.O, Flygare, J.A, Vucic, D, Deshayes, K, Fairbrother, W.J.
Deposit date:2003-04-03
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Function Analysis of Peptide Antagonists of Melanoma Inhibitor of Apoptosis (ML-IAP)
Biochemistry, 42, 2003
2I3H
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BU of 2i3h by Molmil
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
2I3I
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BU of 2i3i by Molmil
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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