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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.
分子名称: 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, ...
著者Grutter, M.G.
登録日2005-09-14
公開日2006-09-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
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)
分子名称: 1,2-ETHANEDIOL, Chaperone protein fimC, DI(HYDROXYETHYL)ETHER, ...
著者Eidam, O, Grutter, M.G, Capitani, G.
登録日2008-01-10
公開日2008-03-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献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
3THM
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BU of 3thm by Molmil
Crystal structure of Fas receptor extracellular domain in complex with Fab EP6b_B01
分子名称: 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, ...
著者Zuger, S, Stirnimann, C, Briand, C, Grutter, M.G.
登録日2011-08-19
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A series of Fas receptor agonist antibodies that demonstrate an inverse correlation between affinity and potency.
Cell Death Differ., 19, 2012
3TJE
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BU of 3tje by Molmil
Crystal structure of Fas receptor extracellular domain in complex with Fab E09
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
著者Zuger, S, Stirnimann, C, Briand, C, Grutter, M.G.
登録日2011-08-24
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献A series of Fas receptor agonist antibodies that demonstrate an inverse correlation between affinity and potency.
Cell Death Differ., 19, 2012
3PIU
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BU of 3piu by Molmil
High-resolution structure of native Malus domestica ACC synthase
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 1-aminocyclopropane-1-carboxylate synthase
著者Scharer, M.A, Grutter, M.G, Capitani, G.
登録日2010-11-08
公開日2010-12-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural basis for reduced activity of 1-aminocyclopropane-1-carboxylate synthase affected by a mutation linked to andromonoecy.
Febs Lett., 585, 2011
3SQB
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BU of 3sqb by Molmil
Structure of the major type 1 pilus subunit FimA bound to the FimC chaperone
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chaperone protein fimC, ...
著者Scharer, M.A, Eidam, O, Grutter, M.G, Glockshuber, R, Capitani, G.
登録日2011-07-05
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Quality control of disulfide bond formation in pilus subunits by the chaperone FimC.
Nat.Chem.Biol., 8, 2012
2XZT
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BU of 2xzt by Molmil
Caspase-3 in Complex with DARPin-3.4_I78S
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, CASPASE-3, DARPIN-3.4_I78S
著者Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G.
登録日2010-11-29
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Caspase-3 in Complex with Darpin-3.4_I78S
To be Published
2XYP
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BU of 2xyp by Molmil
Caspase-3:CAS26049945
分子名称: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE
著者Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
登録日2010-11-18
公開日2011-08-17
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
2XYG
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BU of 2xyg by Molmil
Caspase-3:CAS329306
分子名称: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide
著者Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
登録日2010-11-17
公開日2011-08-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献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
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CASPASE-3, ...
著者Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G.
登録日2010-11-24
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CASPASE-3, ...
著者Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G.
登録日2010-12-01
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Specific Inhibition of Caspase-3 by a Competitive Darpin: Molecular Mimicry between Native and Designed Inhibitors.
Structure, 21, 2013
2XYH
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BU of 2xyh by Molmil
Caspase-3:CAS60254719
分子名称: 5-CHLORO-4-OXOPENTANOIC ACID, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17
著者Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
登録日2010-11-17
公開日2011-08-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
2Y1L
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BU of 2y1l by Molmil
Caspase-8 in Complex with DARPin-8.4
分子名称: 1,2-ETHANEDIOL, AC-IETD-CHO, CASPASE-8, ...
著者Barandun, J, Schroeder, T, Mittl, P.R.E, Grutter, M.G.
登録日2010-12-08
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Caspase-8 in Complex with Darpin-8.4
To be Published
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)
分子名称: Protein fimF, Protein fimG, YTTRIUM (III) ION
著者Eidam, O, Capitani, G, Grutter, M.G.
登録日2007-11-23
公開日2008-03-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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)
分子名称: COBALT (II) ION, Protein fimF, Protein fimG
著者Eidam, O, Capitani, G, Grutter, M.G.
登録日2007-11-23
公開日2008-03-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献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
分子名称: CADMIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Stirnimann, C.U, Grimshaw, J.P.A, Glockshuber, R, Grutter, M.G, Capitani, G.
登録日2008-02-07
公開日2008-07-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献DsbL and DsbI form a specific dithiol oxidase system for periplasmic arylsulfate sulfotransferase in uropathogenic Escherichia coli.
J.Mol.Biol., 380, 2008
1YNU
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BU of 1ynu by Molmil
Crystal structure of apple ACC synthase in complex with L-vinylglycine
分子名称: 1-aminocyclopropane-1-carboxylate synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID, ...
著者Capitani, G, Tschopp, M, Eliot, A.C, Kirsch, J.F, Grutter, M.G.
登録日2005-01-25
公開日2005-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of ACC synthase inactivated by the mechanism-based inhibitor L-vinylglycine.
Febs Lett., 579, 2005
1F9E
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BU of 1f9e by Molmil
CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO
分子名称: (PHQ)DEVD, CASPASE-8 ALPHA CHAIN, CASPASE-8 BETA CHAIN
著者Blanchard, H, Donepudi, M, Tschopp, M, Kodandapani, L, Wu, J.C, Grutter, M.G.
登録日2000-07-10
公開日2001-07-10
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Caspase-8 specificity probed at subsite S(4): crystal structure of the caspase-8-Z-DEVD-cho complex.
J.Mol.Biol., 302, 2000
2V12
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BU of 2v12 by Molmil
Crystal Structure of Renin with Inhibitor 8
分子名称: N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE, RENIN
著者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.
登録日2007-05-21
公開日2007-07-03
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V11
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BU of 2v11 by Molmil
Crystal Structure of Renin with Inhibitor 6
分子名称: (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE, RENIN
著者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.
登録日2007-05-21
公開日2007-07-03
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V0Z
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BU of 2v0z by Molmil
Crystal Structure of Renin with Inhibitor 10 (Aliskiren)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALISKIREN, RENIN
著者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.
登録日2007-05-21
公開日2007-07-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V16
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BU of 2v16 by Molmil
Crystal Structure of Renin with Inhibitor 3
分子名称: METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE, RENIN
著者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.
登録日2007-05-22
公開日2008-07-08
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V13
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BU of 2v13 by Molmil
Crystal Structure of Renin with Inhibitor 7
分子名称: N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE, RENIN
著者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.
登録日2007-05-21
公開日2008-07-08
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
2V10
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BU of 2v10 by Molmil
Crystal Structure of Renin with Inhibitor 9
分子名称: (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE, RENIN
著者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.
登録日2007-05-21
公開日2007-07-03
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
3MAD
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BU of 3mad by Molmil
Crystal structure of StSPL (symmetric form)
分子名称: PHOSPHATE ION, Sphingosine-1-phosphate lyase
著者Bourquin, F, Grutter, M.G, Capitani, G.
登録日2010-03-23
公開日2010-08-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010

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