4RMH
 
 | | Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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5A3H
 | | 2-DEOXY-2-FLURO-B-D-CELLOBIOSYL/ENZYME INTERMEDIATE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.8 ANGSTROMS RESOLUTION | | Descriptor: | ENDOGLUCANASE, beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | | Authors: | Davies, G.J, Varrot, A, Dauter, M, Brzozowski, A.M, Schulein, M, Mackenzie, L, Withers, S.G. | | Deposit date: | 1998-07-23 | | Release date: | 1999-07-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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1DYS
 | | Endoglucanase CEL6B from Humicola insolens | | Descriptor: | ENDOGLUCANASE | | Authors: | Davies, G.J, Brzozowski, A.M, Dauter, M, Varrot, A, Schulein, M. | | Deposit date: | 2000-02-08 | | Release date: | 2001-02-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and Function of Humicola Insolens Family 6 Cellulases: Structure of the Endoglucanase, Cel6B, at 1.6 A Resolution
Biochem.J., 348, 2000
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1L6W
 | | Fructose-6-phosphate aldolase | | Descriptor: | Fructose-6-phosphate aldolase 1, GLYCEROL | | Authors: | Thorell, S, Schuermann, M, Sprenger, G.A, Schneider, G. | | Deposit date: | 2002-03-14 | | Release date: | 2002-06-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of decameric fructose-6-phosphate aldolase from Escherichia coli reveals inter-subunit helix swapping as a structural basis for assembly differences in the transaldolase family.
J.Mol.Biol., 319, 2002
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2ENG
 | | ENDOGLUCANASE V | | Descriptor: | ENDOGLUCANASE V | | Authors: | Davies, G.J, Schulein, M. | | Deposit date: | 1995-06-29 | | Release date: | 1996-12-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of oligosaccharide-bound forms of the endoglucanase V from Humicola insolens at 1.9 A resolution.
Biochemistry, 34, 1995
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8QOO
 | | Crystal structure of human Sirt2 in complex with the peptide-based pseudo-inhibitor TNFn-4.1 | | Descriptor: | (2S,3R)-3-dodecylsulfanyl-2-methyl-butanoic acid, (2S,3S)-3-dodecylsulfanyl-2-methyl-butanoic acid, (R,R)-2,3-BUTANEDIOL, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-09-29 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Development of potent TNFa-Myr-based pseudo-inhibitors for Sirtuin 2
To Be Published
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8QT0
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 | | Descriptor: | 1,2-ETHANEDIOL, 3-dodecylsulfanyl-3-methyl-butanoic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT4
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 and NAD+ | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT1
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 | | Descriptor: | (2S)-2-dodecylsulfanylpropanoic acid, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QT2
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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8QTU
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-3 and NAD+ | | Descriptor: | 1,2-ETHANEDIOL, 3-dodecylsulfanyl-3-methyl-butanoic acid, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-13 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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6FTE
 | | Crystal structure of an (R)-selective amine transaminase from Exophiala xenobiotica | | Descriptor: | ACETATE ION, Amine transaminase (fold IV), GLYCEROL, ... | | Authors: | Telzerow, A, Hakansson, M, Schurrmann, M, Schwab, H, Steiner, K. | | Deposit date: | 2018-02-21 | | Release date: | 2019-01-09 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Amine Transaminase from Exophiala xenobiotica - Crystal Structure and Engineering of a Fold IV Transaminase that Naturally Converts Biaryl Ketones
Acs Catalysis, 2018
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7B6W
 | | Crystal structure of the human alpha1B adrenergic receptor in complex with inverse agonist (+)-cyclazosin | | Descriptor: | Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor,Alpha-1B adrenergic receptor,alpha1B adrenergic receptor, [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone | | Authors: | Deluigi, M, Morstein, L, Hilge, M, Schuster, M, Merklinger, L, Klipp, A, Scott, D.J, Plueckthun, A. | | Deposit date: | 2020-12-08 | | Release date: | 2022-01-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.873 Å) | | Cite: | Crystal structure of the alpha 1B -adrenergic receptor reveals molecular determinants of selective ligand recognition.
Nat Commun, 13, 2022
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8QT3
 | | Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 and NAD+ | | Descriptor: | (2S)-2-dodecylsulfanylpropanoic acid, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Friedrich, F, Kalbas, D, Meleshin, M, Einsle, O, Schutkowski, M, Jung, M. | | Deposit date: | 2023-10-12 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | New Super-Slow Substrates as novel Sirtuin-Inhibitors
To Be Published
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4UIR
 | | Structure of oleate hydratase from Elizabethkingia meningoseptica | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HEXAETHYLENE GLYCOL, OLEATE HYDRATASE, ... | | Authors: | Pavkov-Keller, T, Hromic, A, Engleder, M, Emmerstorfer, A, Steinkellner, G, Schrempf, S, Wriessnegger, T, Leitner, E, Strohmeier, G.A, Kaluzna, I, Mink, D, Schuermann, M, Wallner, S, Macheroux, P, Pichler, H, Gruber, K. | | Deposit date: | 2015-04-02 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-Based Mechanism of Oleate Hydratase from Elizabethkingia Meningoseptica.
Chembiochem, 16, 2015
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1OVW
 | | ENDOGLUCANASE I COMPLEXED WITH NON-HYDROLYSABLE SUBSTRATE ANALOGUE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-thio-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-1,4-dithio-beta-D-glucopyranose, ENDOGLUCANASE I | | Authors: | Sulzenbacher, G, Davies, G.J, Schulein, M. | | Deposit date: | 1996-10-17 | | Release date: | 1997-10-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the Fusarium oxysporum endoglucanase I with a nonhydrolyzable substrate analogue: substrate distortion gives rise to the preferred axial orientation for the leaving group.
Biochemistry, 35, 1996
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3A3H
 | | CELLOTRIOSE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHERANS AT 1.6 A RESOLUTION | | Descriptor: | ENDOGLUCANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Davies, G.J, Brzozowski, A.M, Andersen, K, Schulein, M. | | Deposit date: | 1998-02-01 | | Release date: | 1999-03-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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4A3H
 | | 2',4' DINITROPHENYL-2-DEOXY-2-FLURO-B-D-CELLOBIOSIDE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS AT 1.6 A RESOLUTION | | Descriptor: | 2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-BETA-D-CELLOBIOSIDE, PROTEIN (ENDOGLUCANASE) | | Authors: | Davies, G.J, Brzozowski, A.M, Andersen, K, Schulein, M, Mackenzie, L, Withers, S.G. | | Deposit date: | 1998-07-22 | | Release date: | 1999-07-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Snapshots along an enzymatic reaction coordinate: analysis of a retaining beta-glycoside hydrolase.
Biochemistry, 37, 1998
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4OVW
 | | ENDOGLUCANASE I COMPLEXED WITH EPOXYBUTYL CELLOBIOSE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate, ENDOGLUCANASE I | | Authors: | Davies, G.J, Schulein, M. | | Deposit date: | 1997-10-06 | | Release date: | 1998-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the endoglucanase I from Fusarium oxysporum: native, cellobiose, and 3,4-epoxybutyl beta-D-cellobioside-inhibited forms, at 2.3 A resolution.
Biochemistry, 36, 1997
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1UNC
 | | Solution structure of the human villin C-terminal headpiece subdomain | | Descriptor: | VILLIN 1 | | Authors: | Vermeulen, W, Van Troys, M, Vanhaesebrouck, P, Verschueren, M, Fant, F, Ampe, C, Martins, J, Borremans, F. | | Deposit date: | 2003-09-09 | | Release date: | 2004-07-15 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of the C-Terminal Headpiece Subdomains of Human Villin and Advillin, Evaluation of Headpiece F-Actin-Binding Requirements
Protein Sci., 13, 2004
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2A39
 | | HUMICOLA INSOLENS ENDOCELLULASE EGI NATIVE STRUCTURE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I | | Authors: | Davies, G.J, Sulzenbacher, G, Mackenzie, L, Withers, S.G, Divne, C, Jones, T.A, Woldike, H.F, Schulein, M. | | Deposit date: | 1998-01-30 | | Release date: | 1999-02-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the family 7 endoglucanase I (Cel7B) from Humicola insolens at 2.2 A resolution and identification of the catalytic nucleophile by trapping of the covalent glycosyl-enzyme intermediate.
Biochem.J., 335, 1998
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1UND
 | | Solution structure of the human advillin C-terminal headpiece subdomain | | Descriptor: | ADVILLIN | | Authors: | Vermeulen, W, Van Troys, M, Vanhaesebrouck, P, Verschueren, M, Fant, F, Ampe, C, Martins, J, Borremans, F. | | Deposit date: | 2003-09-09 | | Release date: | 2004-07-15 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of the C-Terminal Headpiece Subdomains of Human Villin and Advillin, Evaluation of Headpiece F-Actin-Binding Requirements
Protein Sci., 13, 2004
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8A3H
 | | Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus agaradhaerens at 0.97 A resolution | | Descriptor: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, ACETATE ION, GLYCEROL, ... | | Authors: | Varrot, A, Schulein, M, Pipelier, M, Vasella, A, Davies, G.J. | | Deposit date: | 1999-01-20 | | Release date: | 2000-01-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Lateral Protonation of a Glycosidase Inhibitor. Structure of the Bacillus agaradhaerens Cel5A in Complex with a Cellobiose-Derived Imidazole at 0.97 A Resolution
J.Am.Chem.Soc., 121, 1999
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1DXI
 | | STRUCTURE DETERMINATION OF GLUCOSE ISOMERASE FROM STREPTOMYCES MURINUS AT 2.6 ANGSTROMS RESOLUTION | | Descriptor: | D-XYLOSE ISOMERASE, MAGNESIUM ION | | Authors: | Rasmussen, H, La Cour, T, Nyborg, J, Schulein, M. | | Deposit date: | 1993-09-30 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure determination of glucose isomerase from Streptomyces murinus at 2.6 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
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1E5J
 | | ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO-BETA-CELLOBIOSIDE | | Descriptor: | CALCIUM ION, ENDOGLUCANASE 5A, alpha-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside | | Authors: | Fort, S, Varrot, A, Schulein, M, Cottaz, S, Driguez, H, Davies, G.J. | | Deposit date: | 2000-07-26 | | Release date: | 2001-07-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mixed-Linkage Cellooligosaccharides: A New Class of Glycoside Hydrolase Inhibitors
Chembiochem, 2, 2001
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