1CP3
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CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE TETRAPEPTIDE INHIBITOR ACE-DVAD-FMC
Descriptor:APOPAIN, ACETYL-ASP-VAL-ALA-ASP-FLUOROMETHYLKETONE
Authors:Mittl, P.R.E., Dimarco, S., Gruetter, M.G.
Deposit date:1996-12-12
Release date:1997-12-24
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of recombinant human CPP32 in complex with the tetrapeptide acetyl-Asp-Val-Ala-Asp fluoromethyl ketone.
J.Biol.Chem., 272, 1997
1F1J
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CRYSTAL STRUCTURE OF CASPASE-7 IN COMPLEX WITH ACETYL-ASP-GLU-VAL-ASP-CHO
Descriptor:CASPASE-7 PROTEASE (E.C.3.4.22.-)
Authors:Wei, Y., Charifson, P.S.
Deposit date:2000-05-19
Release date:2001-05-23
Modification date:2013-07-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The structures of caspases-1, -3, -7 and -8 reveal the basis for substrate and inhibitor selectivity.
Chem.Biol., 7, 2000
1GQF
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CRYSTAL STRUCTURE OF HUMAN PROCASPASE-7
Descriptor:CASPASE-7 (E.C.3.4.22.60)
Authors:Riedl, S., Bode, W., Fuentes-Prior, P.
Deposit date:2001-11-23
Release date:2002-01-04
Modification date:2015-09-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis for the Activation of Human Procaspase-7
Proc.Natl.Acad.Sci.USA, 98, 2001
1JXQ
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STRUCTURE OF CLEAVED, CARD DOMAIN DELETED CASPASE-9
Descriptor:Caspase9 (E.C.3.4.22.-)
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
Modification date:2011-07-13
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
1K86
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CRYSTAL STRUCTURE OF CASPASE-7
Descriptor:caspase-7 (E.C.3.4.22.-)
Authors:Chai, J., Wu, Q., Shiozaki, E., Srinivasa, S.M., Alnemri, E.S., Shi, Y.
Deposit date:2001-10-23
Release date:2001-11-21
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a procaspase-7 zymogen: mechanisms of activation and substrate binding
Cell(Cambridge,Mass.), 107, 2001
1K88
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CRYSTAL STRUCTURE OF PROCASPASE-7
Descriptor:procaspase-7 (E.C.3.4.22.-)
Authors:Chai, J., Wu, Q., Shiozaki, E., Srinivasa, S.M., Alnemri, E.S., Shi, Y.
Deposit date:2001-10-23
Release date:2001-11-21
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a procaspase-7 zymogen: mechanisms of activation and substrate binding
Cell(Cambridge,Mass.), 107, 2001
1M72
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CRYSTAL STRUCTURE OF CASPASE-1 FROM SPODOPTERA FRUGIPERDA
Descriptor:Caspase-1 (E.C.3.4.22.36)/Ace-Asp-Glu-Val-Ask-methylketone
Authors:Forsyth, C.M., Lemongello, D., Friesen, P.D., Fisher, A.J.
Deposit date:2002-07-18
Release date:2004-01-20
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of an invertebrate caspase.
J.Biol.Chem., 279, 2004
1NMQ
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EXTENDEND TETHERING: IN SITU ASSEMBLY OF INHIBITORS
Descriptor:caspase-3, large subunit (E.C.3.4.22.-)
Authors:Erlanson, D.A., Lam, J., Wiesmann, C., Luong, T.N., Simmons, R.L., DeLano, W., Choong, I.C., Flanagan, M., Lee, D., O'Brian, T.
Deposit date:2003-01-10
Release date:2003-03-11
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
1NMS
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CASPASE-3 TETHERED TO IRREVERSIBLE INHIBITOR
Descriptor:caspase-3 large subunit (E.C.3.4.22.-)
Authors:Erlanson, D.A., Lam, J., Wiesmann, C., Luong, T.N., Simmons, R.L., DeLano, W.L., Choong, I.C., Flanagan, W.M., Lee, D., O'Brian, T.
Deposit date:2003-01-10
Release date:2003-03-11
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
1QX3
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CONFORMATIONAL RESTRICTIONS IN THE ACTIVE SITE OF UNLIGANDED HUMAN CASPASE-3
Descriptor:Apopain (E.C.3.4.22.-)
Authors:Ni, C.-Z., Li, C., Wu, J.C., Spada, A.P., Ely, K.R.
Deposit date:2003-09-04
Release date:2003-10-07
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational restrictions in the active site of unliganded human caspase-3
J.MOL.RECOG., 16, 2003
1SC1
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CRYSTAL STRUCTURE OF AN ACTIVE-SITE LIGAND-FREE FORM OF THE HUMAN CASPASE-1 C285A MUTANT
Descriptor:Interleukin-1 beta convertase (E.C.3.4.22.36)
Authors:Romanowski, M.J., Scheer, J.M., O'Brien, T., McDowell, R.S.
Deposit date:2004-02-11
Release date:2004-08-10
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding.
Structure, 12, 2004
1SHJ
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CASPASE-7 IN COMPLEX WITH DICA ALLOSTERIC INHIBITOR
Descriptor:Caspase-7 (E.C.3.4.22.-)
Authors:Hardy, J.A., Lam, J., Nguyen, J.T., O'Brien, T., Wells, J.A.
Deposit date:2004-02-25
Release date:2004-08-17
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of an allosteric site in the caspases
Proc.Natl.Acad.Sci.USA, 101, 2004
1SHL
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CASPASE-7 IN COMPLEX WITH FICA ALLOSTERIC INHIBITOR
Descriptor:Caspase-7 (E.C.3.4.22.-)
Authors:Hardy, J.A., Lam, J., Nguyen, J.T., O'Brien, T., Wells, J.A.
Deposit date:2004-02-25
Release date:2004-08-17
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of an allosteric site in the caspases
Proc.Natl.Acad.Sci.USA, 101, 2004
2AR9
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CRYSTAL STRUCTURE OF A DIMERIC CASPASE-9
Descriptor:Caspase-9
Authors:Chao, Y., Shiozaki, E.N., Srinivassula, S.M., Rigotti, D.J., Fairman, R., Shi, Y.
Deposit date:2005-08-19
Release date:2005-10-11
Modification date:2012-02-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering a Dimeric Caspase-9: A Re-Evaluation of the Induced Proximity Model for Caspase Activation
PLOS BIOL., 3, 2005
2DKO
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EXTENDED SUBSTRATE RECOGNITION IN CASPASE-3 REVEALED BY HIGH RESOLUTION X-RAY STRUCTURE ANALYSIS
Descriptor:Caspase-3 (E.C.3.4.22.-), DEVD
Authors:Mittl, P.R.E., Ganesan, R., Jelakovic, S., Grutter, M.G.
Deposit date:2006-04-12
Release date:2006-07-04
Modification date:2014-04-02
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Extended Substrate Recognition in Caspase-3 Revealed by High Resolution X-ray Structure Analysis
J.Mol.Biol., 359, 2006
2FP3
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CRYSTAL STRUCTURE OF THE DROSOPHILA INITIATOR CASPASE DRONC
Descriptor:Caspase Nc
Authors:Yan, N., Gu, L., Shi, Y.
Deposit date:2006-01-15
Release date:2006-01-31
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and activation mechanism of the Drosophila initiator caspase dronc
J.Biol.Chem., 281, 2006
2HBQ
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CRYSTAL STRUCTURE OF WILDTYPE HUMAN CASPASE-1 IN COMPLEX WITH 3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID (Z-VAD-FMK)
Descriptor:human caspase-1, 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Authors:Scheer, J.M., Wells, J.A., Romanowski, M.J.
Deposit date:2006-06-14
Release date:2006-06-27
Modification date:2012-05-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2J30
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THE ROLE OF LOOP BUNDLE HYDROGEN BONDS IN THE MATURATION AND ACTIVITY OF (PRO)CASPASE-3
Descriptor:CASPASE-3 (E.C.3.4.22.56), ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR
Authors:Feeney, B., Pop, C., Swartz, P., Mattos, C., Clark, A.C.
Deposit date:2006-08-17
Release date:2006-11-08
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2J31
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THE ROLE OF LOOP BUNDLE HYDROGEN BONDS IN THE MATURATION AND ACTIVITY OF(PRO)CASPASE-3
Descriptor:CASPASE-3 (E.C.3.4.22.56), ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR
Authors:Feeney, B., Pop, C., Swartz, P., Mattos, C., Clark, A.C.
Deposit date:2006-08-17
Release date:2006-11-08
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2J32
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THE ROLE OF LOOP BUNDLE HYDROGEN BONDS IN THE MATURATION AND ACTIVITY OF(PRO)CASPASE-3
Descriptor:CASPASE-3 (E.C.3.4.22.56), ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR
Authors:Feeney, B., Pop, C., Swartz, P., Mattos, C., Clark, A.C.
Deposit date:2006-08-17
Release date:2006-11-08
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2J33
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THE ROLE OF LOOP BUNDLE HYDROGEN BONDS IN THE MATURATION AND ACTIVITY OF (PRO)CASPASE-3
Descriptor:CASPASE-3 (E.C.3.4.22.56), ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR
Authors:Feeney, B., Pop, C., Swartz, P., Mattos, C., Clark, A.C.
Deposit date:2006-08-17
Release date:2006-11-08
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2K7Z
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SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF PROCASPASE-8
Descriptor:Caspase-8 (E.C.3.4.22.61)
Authors:Keller, N., Zerbe, O., Mares, J., Gruetter, M.G.
Deposit date:2008-08-28
Release date:2009-03-24
Method:SOLUTION NMR
Cite:Structural and biochemical studies on procaspase-8: new insights on initiator caspase activation.
Structure, 17, 2009
2NN3
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STRUCTURE OF PRO-SF-CASPASE-1
Descriptor:Caspase-1 (E.C.3.4.22.36)
Authors:Fisher, A.J., Ni, L.
Deposit date:2006-10-23
Release date:2007-10-23
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Pro-sfcapsase-1, structural insights into activation mechanism of caspases
To be Published
2WDP
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CRYSTAL STRUCTURE OF LIGAND FREE HUMAN CASPASE-6
Descriptor:CASPASE-6 (E.C.3.4.22.59)
Authors:Baumgartner, R., Briand, C., Meder, G., Morse, R., Renatus, M.
Deposit date:2009-03-25
Release date:2009-10-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of Caspase-6, a Selective Effector of Axonal Degeneration.
Biochem.J., 423, 2009
3BIJ
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CRYSTAL STRUCTURE OF PROTEIN GSU0716 FROM GEOBACTER SULFURREDUCENS. NORTHEAST STRUCTURAL GENOMICS TARGET GSR13
Descriptor:Uncharacterized protein GSU0716
Authors:Forouhar, F., Neely, H., Su, M., Seetharaman, J., Benach, J., Conover, K., Fang, Y., Xiao, R., Owen, L.A., Maglaqui, M., Cunningham, K., Baran, M.C., Acton, T.B., Montelione, G.T., Tong, L., Hunt, J.F., Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-11-30
Release date:2007-12-11
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of protein GSU0716 from Geobacter sulfurreducens.
To be Published
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