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2WVT
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BU of 2wvt by Molmil
Crystal structure of an alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron in complex with a novel iminosugar fucosidase inhibitor
Descriptor: (2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM, ALPHA-L-FUCOSIDASE, GLYCEROL, ...
Authors:Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach.
J.Am.Chem.Soc., 132, 2010
3TUD
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BU of 3tud by Molmil
Crystal structure of SYK kinase domain with N-(4-methyl-3-(8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)phenyl)-3-(trifluoromethyl)benzamide
Descriptor: N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide, Tyrosine-protein kinase SYK
Authors:Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A.
Deposit date:2011-09-16
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
3TUC
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BU of 3tuc by Molmil
Crystal structure of SYK kinase domain with 1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: 1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase SYK
Authors:Lovering, F, McDonald, J, Whitlock, G, Glossop, P, Phillips, C, Sabnis, Y, Ryan, M, Fitz, L, Lee, J, Chang, J.S, Han, S, Kurumbail, R, Thorarenson, A.
Deposit date:2011-09-16
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
1PLK
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BU of 1plk by Molmil
CRYSTALLOGRAPHIC STUDIES ON P21H-RAS USING SYNCHROTRON LAUE METHOD: IMPROVEMENT OF CRYSTAL QUALITY AND MONITORING OF THE GTPASE REACTION AT DIFFERENT TIME POINTS
Descriptor: C-H-RAS P21 PROTEIN, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Scheidig, A, Sanchez-Llorente, A, Lautwein, A, Pai, E.F, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Goody, R.S.
Deposit date:1994-03-13
Release date:1994-07-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points.
Acta Crystallogr.,Sect.D, 50, 1994
1PLJ
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BU of 1plj by Molmil
CRYSTALLOGRAPHIC STUDIES ON P21H-RAS USING SYNCHROTRON LAUE METHOD: IMPROVEMENT OF CRYSTAL QUALITY AND MONITORING OF THE GTPASE REACTION AT DIFFERENT TIME POINTS
Descriptor: C-H-RAS P21 PROTEIN, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION
Authors:Scheidig, A, Sanchez-Llorente, A, Lautwein, A, Pai, E.F, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Goody, R.S.
Deposit date:1994-03-13
Release date:1994-07-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points.
Acta Crystallogr.,Sect.D, 50, 1994
1PLL
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BU of 1pll by Molmil
CRYSTALLOGRAPHIC STUDIES ON P21H-RAS USING SYNCHROTRON LAUE METHOD: IMPROVEMENT OF CRYSTAL QUALITY AND MONITORING OF THE GTPASE REACTION AT DIFFERENT TIME POINTS
Descriptor: C-H-RAS P21 PROTEIN, GUANOSINE-5'-DIPHOSPHATE
Authors:Scheidig, A, Sanchez-Llorente, A, Lautwein, A, Pai, E.F, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Goody, R.S.
Deposit date:1994-03-13
Release date:1994-07-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points.
Acta Crystallogr.,Sect.D, 50, 1994
3ZM8
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BU of 3zm8 by Molmil
Crystal structure of Podospora anserina GH26-CBM35 beta-(1,4)- mannanase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GH26 ENDO-BETA-1,4-MANNANASE, ...
Authors:Couturier, M, Roussel, A, Rosengren, A, Leone, P, Stalbrand, H, Berrin, J.G.
Deposit date:2013-02-06
Release date:2013-04-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural and Biochemical Analyses of Glycoside Hydrolase Families 5 and 26 Beta-(1,4)-Mannanases from Podospora Anserina Reveal Differences Upon Manno-Oligosaccharides Catalysis.
J.Biol.Chem., 288, 2013
1EGO
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BU of 1ego by Molmil
NMR STRUCTURE OF OXIDIZED ESCHERICHIA COLI GLUTAREDOXIN: COMPARISON WITH REDUCED E. COLI GLUTAREDOXIN AND FUNCTIONALLY RELATED PROTEINS
Descriptor: GLUTAREDOXIN
Authors:Xia, T.-H, Bushweller, J.H, Sodano, P, Billeter, M, Bjornberg, O, Holmgren, A, Wuthrich, K.
Deposit date:1991-10-08
Release date:1993-10-31
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:NMR structure of oxidized Escherichia coli glutaredoxin: comparison with reduced E. coli glutaredoxin and functionally related proteins.
Protein Sci., 1, 1992
2QTJ
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BU of 2qtj by Molmil
Solution structure of human dimeric immunoglobulin A
Descriptor: Ig alpha-1 chain C region, Kappa light chain IgA1
Authors:Bonner, A, Furtado, P.B, Almogren, A, Kerr, M.A, Perkins, S.J.
Deposit date:2007-08-02
Release date:2008-01-22
Last modified:2024-02-21
Method:SOLUTION SCATTERING
Cite:Implications of the near-planar solution structure of human myeloma dimeric IgA1 for mucosal immunity and IgA nephropathy
J.Immunol., 180, 2008
1EGR
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BU of 1egr by Molmil
SEQUENCE-SPECIFIC 1H N.M.R. ASSIGNMENTS AND DETERMINATION OF THE THREE-DIMENSIONAL STRUCTURE OF REDUCED ESCHERICHIA COLI GLUTAREDOXIN
Descriptor: GLUTAREDOXIN
Authors:Sodano, P, Xia, T.-H, Bushweller, J.H, Bjornberg, O, Holmgren, A, Billeter, M, Wuthrich, K.
Deposit date:1991-10-08
Release date:1993-10-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Sequence-specific 1H n.m.r. assignments and determination of the three-dimensional structure of reduced Escherichia coli glutaredoxin.
J.Mol.Biol., 221, 1991
2RD3
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BU of 2rd3 by Molmil
Crystal structure of TenA homologue (HP1287) from Helicobacter pylori
Descriptor: Transcriptional regulator
Authors:Barison, N, Cendron, L, Trento, A, Angelini, A, Zanotti, G.
Deposit date:2007-09-21
Release date:2008-09-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structural and functional characterization of HP1287 from Helicobacter pylori demonstrates it is a TenA homologue
To be Published
2VZV
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BU of 2vzv by Molmil
Substrate Complex of Amycolatopsis orientalis exo-chitosanase CsxA E541A with chitosan
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, EXO-BETA-D-GLUCOSAMINIDASE
Authors:Lammerts van Bueren, A, Ghinet, M.G, Gregg, K, Fleury, A, Brzezinski, R, Boraston, A.B.
Deposit date:2008-08-05
Release date:2008-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Structural Basis of Substrate Recognition in an Exo-Beta-D-Glucosaminidase Involved in Chitosan Hydrolysis.
J.Mol.Biol., 385, 2009
2VZO
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BU of 2vzo by Molmil
Crystal structure of Amycolatopsis orientalis exo-chitosanase CsxA
Descriptor: ACETATE ION, CADMIUM ION, EXO-BETA-D-GLUCOSAMINIDASE, ...
Authors:Lammerts van Bueren, A, Ghinet, M.G, Gregg, K, Fleury, A, Brzezinski, R, Boraston, A.B.
Deposit date:2008-08-05
Release date:2008-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:The Structural Basis of Substrate Recognition in an Exo-Beta-D-Glucosaminidase Involved in Chitosan Hydrolysis.
J.Mol.Biol., 385, 2009
3EZR
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BU of 3ezr by Molmil
CDK-2 with indazole inhibitor 17 bound at its active site
Descriptor: 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2
Authors:Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
Deposit date:2008-10-23
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
2VZU
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BU of 2vzu by Molmil
Complex of Amycolatopsis orientalis exo-chitosanase CsxA D469A with PNP-beta-D-glucosamine
Descriptor: 4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside, ACETATE ION, CADMIUM ION, ...
Authors:Lammerts van Bueren, A, Ghinet, M.G, Gregg, K, Fleury, A, Brzezinski, R, Boraston, A.B.
Deposit date:2008-08-05
Release date:2008-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structural Basis of Substrate Recognition in an Exo-Beta-D-Glucosaminidase Involved in Chitosan Hydrolysis.
J.Mol.Biol., 385, 2009
2VZS
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BU of 2vzs by Molmil
Chitosan Product complex of Amycolatopsis orientalis exo-chitosanase CsxA
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose, CADMIUM ION, EXO-BETA-D-GLUCOSAMINIDASE, ...
Authors:Lammerts van Bueren, A, Ghinet, M.G, Gregg, K, Fleury, A, Brzezinski, R, Boraston, A.B.
Deposit date:2008-08-05
Release date:2008-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Structural Basis of Substrate Recognition in an Exo-Beta-D-Glucosaminidase Involved in Chitosan Hydrolysis.
J.Mol.Biol., 385, 2009
3F5X
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BU of 3f5x by Molmil
CDK-2-Cyclin complex with indazole inhibitor 9 bound at its active site
Descriptor: 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2, Cyclin-A2, ...
Authors:Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
Deposit date:2008-11-04
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor.
Bioorg.Med.Chem.Lett., 19, 2009
3EZV
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BU of 3ezv by Molmil
CDK-2 with indazole inhibitor 9 bound at its active site
Descriptor: 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2
Authors:Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
Deposit date:2008-10-23
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
3E1Z
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BU of 3e1z by Molmil
Crystal structure of the parasite protesase inhibitor chagasin in complex with papain
Descriptor: ACETIC ACID, Chagasin, FORMIC ACID, ...
Authors:Redzynia, I, Bujacz, G, Bujacz, A, Ljunggren, A, Abrahamson, M, Jaskolski, M.
Deposit date:2008-08-05
Release date:2009-01-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of the parasite inhibitor chagasin in complex with papain allows identification of structural requirements for broad reactivity and specificity determinants for target proteases.
Febs J., 276, 2009
2WVV
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BU of 2wvv by Molmil
Crystal structure of an alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-L-FUCOSIDASE, GLYCEROL, ...
Authors:Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
2WVS
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BU of 2wvs by Molmil
Crystal structure of an alpha-L-fucosidase GH29 trapped covalent intermediate from Bacteroides thetaiotaomicron in complex with 2- fluoro-fucosyl fluoride using an E288Q mutant
Descriptor: 2-deoxy-2-fluoro-beta-L-fucopyranose, ALPHA-L-FUCOSIDASE, SULFATE ION
Authors:Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
1NXD
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BU of 1nxd by Molmil
Crystal structure of MnMn Concanavalin A
Descriptor: AZIDE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Lopez-Jaramillo, F.J, Gonzalez-Ramirez, L.A, Albert, A, Santoyo-Gonzalez, F, Vargas-Berenguel, A, Otalora, F.
Deposit date:2003-02-10
Release date:2004-03-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of concanavalin A at pH 8: bound solvent and crystal contacts.
Acta Crystallogr.,Sect.D, 60, 2004
2VZT
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BU of 2vzt by Molmil
Complex of Amycolatopsis orientalis exo-chitosanase CsxA E541A with PNP-beta-D-glucosamine
Descriptor: 4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside, ACETATE ION, CADMIUM ION, ...
Authors:Lammerts van Bueren, A, Ghinet, M.G, Gregg, K, Fleury, A, Brzezinski, R, Boraston, A.B.
Deposit date:2008-08-05
Release date:2008-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis of Substrate Recognition in an Exo-Beta-D-Glucosaminidase Involved in Chitosan Hydrolysis.
J.Mol.Biol., 385, 2009
2WVU
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BU of 2wvu by Molmil
Crystal structure of a Michaelis complex of alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron with the synthetic substrate 4- nitrophenyl-alpha-L-fucose
Descriptor: 4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside, ALPHA-L-FUCOSIDASE, SULFATE ION
Authors:Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
2YA2
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BU of 2ya2 by Molmil
Catalytic Module of the Multi-modular glycogen-degrading pneumococcal virulence factor SpuA in complex with an inhibitor.
Descriptor: CALCIUM ION, PUTATIVE ALKALINE AMYLOPULLULANASE, SODIUM ION, ...
Authors:Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B.
Deposit date:2011-02-17
Release date:2011-04-20
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Structure, 19, 2011

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