2C1E
 
 | | 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
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3BWU
 | | Crystal structure of the ternary complex of FimD (N-Terminal Domain, FimDN) with FimC and the N-terminally truncated pilus subunit FimF (FimFt) | | Descriptor: | 1,2-ETHANEDIOL, Chaperone protein fimC, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Eidam, O, Grutter, M.G, Capitani, G. | | Deposit date: | 2008-01-10 | | Release date: | 2008-03-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of the ternary FimC-FimF(t)-FimD(N) complex indicates conserved pilus chaperone-subunit complex recognition by the usher FimD
Febs Lett., 582, 2008
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1M4N
 | | CRYSTAL STRUCTURE OF APPLE ACC SYNTHASE IN COMPLEX WITH [2-(AMINO-OXY)ETHYL](5'-DEOXYADENOSIN-5'-YL)(METHYL)SULFONIUM | | Descriptor: | (2-AMINOOXY-ETHYL)-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]-METHYL-SULFONIUM, 1-aminocyclopropane-1-carboxylate synthase, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Capitani, G, Eliot, A.C, Gut, H, Khomutov, R.M, Kirsch, J.F, Grutter, M.G. | | Deposit date: | 2002-07-03 | | Release date: | 2003-04-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure of 1-aminocyclopropane-1-carboxylate synthase in complex with an amino-oxy analogue of the substrate: implications for substrate binding.
BIOCHEM.BIOPHYS.ACTA PROTEINS & PROTEOMICS, 1647, 2003
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1YNU
 | | Crystal structure of apple ACC synthase in complex with L-vinylglycine | | Descriptor: | 1-aminocyclopropane-1-carboxylate synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID, ... | | Authors: | Capitani, G, Tschopp, M, Eliot, A.C, Kirsch, J.F, Grutter, M.G. | | Deposit date: | 2005-01-25 | | Release date: | 2005-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of ACC synthase inactivated by the mechanism-based inhibitor L-vinylglycine.
Febs Lett., 579, 2005
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3THM
 | | Crystal structure of Fas receptor extracellular domain in complex with Fab EP6b_B01 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fab EP6b_B01, ... | | Authors: | Zuger, S, Stirnimann, C, Briand, C, Grutter, M.G. | | Deposit date: | 2011-08-19 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A series of Fas receptor agonist antibodies that demonstrate an inverse correlation between affinity and potency.
Cell Death Differ., 19, 2012
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3PIU
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3SQB
 | | Structure of the major type 1 pilus subunit FimA bound to the FimC chaperone | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chaperone protein fimC, ... | | Authors: | Scharer, M.A, Eidam, O, Grutter, M.G, Glockshuber, R, Capitani, G. | | Deposit date: | 2011-07-05 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Quality control of disulfide bond formation in pilus subunits by the chaperone FimC.
Nat.Chem.Biol., 8, 2012
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3TJE
 | | Crystal structure of Fas receptor extracellular domain in complex with Fab E09 | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Zuger, S, Stirnimann, C, Briand, C, Grutter, M.G. | | Deposit date: | 2011-08-24 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | A series of Fas receptor agonist antibodies that demonstrate an inverse correlation between affinity and potency.
Cell Death Differ., 19, 2012
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2XYP
 | | Caspase-3:CAS26049945 | | Descriptor: | CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE | | Authors: | Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R. | | Deposit date: | 2010-11-18 | | Release date: | 2011-08-17 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
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2Y0B
 | | Caspase-3 in Complex with an Inhibitory DARPin-3.4_S76R | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CASPASE-3, ... | | Authors: | Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G. | | Deposit date: | 2010-12-01 | | Release date: | 2011-12-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Specific Inhibition of Caspase-3 by a Competitive Darpin: Molecular Mimicry between Native and Designed Inhibitors.
Structure, 21, 2013
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2XYG
 | | Caspase-3:CAS329306 | | Descriptor: | CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide | | Authors: | Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R. | | Deposit date: | 2010-11-17 | | Release date: | 2011-08-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
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2XZD
 | | Caspase-3 in Complex with an Inhibitory DARPin-3.4 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CASPASE-3, ... | | Authors: | Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G. | | Deposit date: | 2010-11-24 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Specific Inhibition of Caspase-3 by a Competitive Darpin: Molecular Mimicry between Native and Designed Inhibitors.
Structure, 21, 2013
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2Y1L
 | | Caspase-8 in Complex with DARPin-8.4 | | Descriptor: | 1,2-ETHANEDIOL, AC-IETD-CHO, Caspase-8, ... | | Authors: | Barandun, J, Schroeder, T, Mittl, P.R.E, Grutter, M.G. | | Deposit date: | 2010-12-08 | | Release date: | 2011-12-28 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Caspase-8 in Complex with Darpin-8.4
To be Published
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2XZT
 | | Caspase-3 in Complex with DARPin-3.4_I78S | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CASPASE-3, DARPIN-3.4_I78S | | Authors: | Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G. | | Deposit date: | 2010-11-29 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Caspase-3 in Complex with Darpin-3.4_I78S
To be Published
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3BFW
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3BFQ
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3C7M
 | | Crystal structure of reduced DsbL | | Descriptor: | CADMIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stirnimann, C.U, Grimshaw, J.P.A, Glockshuber, R, Grutter, M.G, Capitani, G. | | Deposit date: | 2008-02-07 | | Release date: | 2008-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | DsbL and DsbI form a specific dithiol oxidase system for periplasmic arylsulfate sulfotransferase in uropathogenic Escherichia coli.
J.Mol.Biol., 380, 2008
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4DBA
 | | Designed Armadillo repeat protein (YIIM3AII) | | Descriptor: | Designed Armadillo repeat protein, YIIM3AII, GLYCEROL | | Authors: | Madhurantakam, C, Varadamsetty, G, Grutter, M.G, Pluckthun, A, Mittl, P.R.E. | | Deposit date: | 2012-01-13 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based optimization of designed Armadillo-repeat proteins.
Protein Sci., 21, 2012
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4DB8
 | | Designed Armadillo-repeat Protein | | Descriptor: | Armadillo-repeat Protein, MAGNESIUM ION | | Authors: | Madhurantakam, C, Varadamsetty, G, Grutter, M.G, Pluckthun, A, Mittl, P.R.E. | | Deposit date: | 2012-01-13 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based optimization of designed Armadillo-repeat proteins.
Protein Sci., 21, 2012
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4DB6
 | | Designed Armadillo repeat protein (YIIIM3AII) | | Descriptor: | Armadillo repeat protein | | Authors: | Madhurantakam, C, Varadamsetty, G, Grutter, M.G, Pluckthun, A, Mittl, P.R.E. | | Deposit date: | 2012-01-13 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based optimization of designed Armadillo-repeat proteins.
Protein Sci., 21, 2012
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4DB9
 | | Designed Armadillo repeat protein (YIIIM3AIII) | | Descriptor: | Armadillo repeat protein, YIIIM3AIII | | Authors: | Madhurantakam, C, Varadamsetty, G, Grutter, M.G, Pluckthun, A, Mittl, P.R.E. | | Deposit date: | 2012-01-13 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based optimization of designed Armadillo-repeat proteins.
Protein Sci., 21, 2012
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1F9E
 | | CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO | | Descriptor: | (PHQ)DEVD, CASPASE-8 ALPHA CHAIN, CASPASE-8 BETA CHAIN | | Authors: | Blanchard, H, Donepudi, M, Tschopp, M, Kodandapani, L, Wu, J.C, Grutter, M.G. | | Deposit date: | 2000-07-10 | | Release date: | 2001-07-10 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Caspase-8 specificity probed at subsite S(4): crystal structure of the caspase-8-Z-DEVD-cho complex.
J.Mol.Biol., 302, 2000
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2V12
 | | Crystal Structure of Renin with Inhibitor 8 | | Descriptor: | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE, RENIN | | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | | Deposit date: | 2007-05-21 | | Release date: | 2007-07-03 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
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3MAF
 | | Crystal structure of StSPL (asymmetric form) | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, sphingosine-1-phosphate lyase | | Authors: | Bourquin, F, Grutter, M.G, Capitani, G. | | Deposit date: | 2010-03-23 | | Release date: | 2010-08-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.971 Å) | | Cite: | Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
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3MAU
 | | Crystal structure of StSPL in complex with phosphoethanolamine | | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, PHOSPHATE ION, sphingosine-1-phosphate lyase, ... | | Authors: | Bourquin, F, Grutter, M.G, Capitani, G. | | Deposit date: | 2010-03-24 | | Release date: | 2010-08-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
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