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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
2XYH
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BU of 2xyh by Molmil
Caspase-3:CAS60254719
Descriptor: 5-CHLORO-4-OXOPENTANOIC ACID, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17
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 (1.89 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
2XYP
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BU of 2xyp by Molmil
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
3MAU
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BU of 3mau by Molmil
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
3MAD
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BU of 3mad by Molmil
Crystal structure of StSPL (symmetric form)
Descriptor: 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:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
3MBB
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BU of 3mbb by Molmil
Crystal structure of StSPL - apo form, after treatment with semicarbazide
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ...
Authors:Bourquin, F, Grutter, M.G, Capitani, G.
Deposit date:2010-03-25
Release date:2010-08-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
3MC6
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BU of 3mc6 by Molmil
Crystal structure of ScDPL1
Descriptor: PHOSPHATE ION, Sphingosine-1-phosphate lyase
Authors:Bourquin, F, Grutter, M.G, Capitani, G.
Deposit date:2010-03-27
Release date:2010-08-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
3MAF
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BU of 3maf by Molmil
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
3SQB
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BU of 3sqb by Molmil
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
3TJE
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BU of 3tje by Molmil
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
3THM
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BU of 3thm by Molmil
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
2Y1L
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BU of 2y1l by Molmil
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
2XZT
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BU of 2xzt by Molmil
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
2XYG
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BU of 2xyg by Molmil
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
2XZD
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BU of 2xzd by Molmil
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
2Y0B
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BU of 2y0b by Molmil
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
3BFW
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BU of 3bfw by Molmil
Crystal structure of truncated FimG (FimGt) in complex with the donor strand peptide of FimF (DSF)
Descriptor: Protein fimF, Protein fimG, YTTRIUM (III) ION
Authors:Eidam, O, Capitani, G, Grutter, M.G.
Deposit date:2007-11-23
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Infinite Kinetic Stability against Dissociation of Supramolecular Protein Complexes through Donor Strand Complementation
Structure, 16, 2008
3BFQ
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BU of 3bfq by Molmil
Crystal structure of truncated FimG (FimGt) in complex with the donor strand peptide of FimF (DSF)
Descriptor: COBALT (II) ION, Protein fimF, Protein fimG
Authors:Eidam, O, Capitani, G, Grutter, M.G.
Deposit date:2007-11-23
Release date:2008-03-04
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Infinite Kinetic Stability against Dissociation of Supramolecular Protein Complexes through Donor Strand Complementation
Structure, 16, 2008
3C7M
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BU of 3c7m by Molmil
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
3BWU
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BU of 3bwu by Molmil
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
4DBA
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BU of 4dba by Molmil
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
4DB8
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BU of 4db8 by Molmil
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
4DB6
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BU of 4db6 by Molmil
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
4DB9
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BU of 4db9 by Molmil
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
2V12
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BU of 2v12 by Molmil
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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