1K9T
 
 | | Chitinase a complexed with tetra-N-acetylchitotriose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE A | | Authors: | Prag, G, Tucker, P.A, Oppenheim, A.B. | | Deposit date: | 2001-10-30 | | Release date: | 2002-11-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Complex Structures of Chitinase A Mutant with Oligonag Provide Insight Into the Enzymatic Mechanism
To be Published
|
|
2PJW
 | |
1P3Q
 | | Mechanism of Ubiquitin Recognition by the CUE Domain of VPS9 | | Descriptor: | Ubiquitin, Vacuolar protein sorting-associated protein VPS9 | | Authors: | Prag, G, Misra, S, Jones, E.A, Ghirlando, R, Davies, B.A, Horazdovsky, B.F, Hurley, J.H. | | Deposit date: | 2003-04-18 | | Release date: | 2003-06-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of Ubiquitin Recognition by the CUE Domain of Vps9p.
Cell(Cambridge,Mass.), 113, 2003
|
|
1C7T
 | | BETA-N-ACETYLHEXOSAMINIDASE MUTANT E540D COMPLEXED WITH DI-N ACETYL-D-GLUCOSAMINE (CHITOBIASE) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE, SULFATE ION | | Authors: | Prag, G, Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K, Oppenheim, A.B. | | Deposit date: | 2000-03-17 | | Release date: | 2000-09-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of chitobiase mutants complexed with the substrate Di-N-acetyl-d-glucosamine: the catalytic role of the conserved acidic pair, aspartate 539 and glutamate 540.
J.Mol.Biol., 300, 2000
|
|
1C7S
 | | BETA-N-ACETYLHEXOSAMINIDASE MUTANT D539A COMPLEXED WITH DI-N-ACETYL-BETA-D-GLUCOSAMINE (CHITOBIASE) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE, SULFATE ION | | Authors: | Prag, G, Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K, Oppenheim, A.B. | | Deposit date: | 2000-03-14 | | Release date: | 2000-09-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of chitobiase mutants complexed with the substrate Di-N-acetyl-d-glucosamine: the catalytic role of the conserved acidic pair, aspartate 539 and glutamate 540.
J.Mol.Biol., 300, 2000
|
|
1YD8
 | | COMPLEX OF HUMAN GGA3 GAT DOMAIN AND UBIQUITIN | | Descriptor: | ADP-RIBOSYLATION FACTOR BINDING PROTEIN GGA3, UBIQUIN | | Authors: | Prag, G, Lee, S, Mattera, R, Arighi, C.N, Beach, B.M, Bonifacino, J.S, Hurley, J.H. | | Deposit date: | 2004-12-23 | | Release date: | 2005-02-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural mechanism for ubiquitinated-cargo recognition by the Golgi-localized, {gamma}-ear-containing, ADP-ribosylation-factor-binding proteins
Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
1MN3
 | | Cue domain of yeast Vps9p | | Descriptor: | Vacuolar protein sorting-associated protein VPS9 | | Authors: | Prag, G, Misra, S, Jones, E, Ghirlando, R, Davies, B.A, Horazdovsky, B.F, Hurley, J.H. | | Deposit date: | 2002-09-04 | | Release date: | 2003-06-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanism of Ubiquitin Recognition by the CUE Domain of Vps9p
Cell(Cambridge,Mass.), 113, 2003
|
|
2OP3
 | | The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method | | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL, Cathepsin S, ... | | Authors: | Spraggon, G, Inagaki, H, Tsuruoka, H, Hornsby, M, Lesley, S.A, Ellman, J.A. | | Deposit date: | 2007-01-26 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode.
J.Med.Chem., 50, 2007
|
|
7KEV
 | | PCSK9 in complex with a cyclic peptide LDLR disruptor | | Descriptor: | CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9 Propeptide, ... | | Authors: | Spraggon, G, Chopra, R. | | Deposit date: | 2020-10-12 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
|
|
4E9L
 | | FdeC, a Novel Broadly Conserved Escherichia coli Adhesin Eliciting Protection against Urinary Tract Infections | | Descriptor: | Attaching and effacing protein, pathogenesis factor | | Authors: | Spraggon, G, Nesta, B, Alteri, C, Gomes Moriel, D, Rosini, R, Veggi, D, Smith, S, Bertoldi, I, Pastorello, I, Ferlenghi, I, Fontana, M.R, Frankel, G, Mobley, H.L.T, Rappuoli, R, Pizza, M, Serino, L, Soriana, M. | | Deposit date: | 2012-03-21 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | FdeC, a novel broadly conserved Escherichia coli adhesin eliciting protection against urinary tract infections.
MBio, 3, 2012
|
|
3M0C
 | |
3E0P
 | | The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor | | Descriptor: | GLYCEROL, Prostasin, benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate | | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | | Deposit date: | 2008-07-31 | | Release date: | 2008-09-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
3E0N
 | | The X-ray structure of Human Prostasin in complex with DFFR-chloromethyl ketone inhibitor | | Descriptor: | DPN-PHE-ARM, GLYCEROL, Prostasin heavy chain, ... | | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | | Deposit date: | 2008-07-31 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
|
|
3E16
 | | X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Prostasin, ... | | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | | Deposit date: | 2008-08-01 | | Release date: | 2008-09-09 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Bioorg.Med.Chem.Lett., 18, 2008
|
|
3E1X
 | | The Crystal Structure of Apo Prostasin at 1.7 Angstroms Resolution | | Descriptor: | GLYCEROL, Prostasin | | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | | Deposit date: | 2008-08-04 | | Release date: | 2009-05-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
|
|
1FZD
 | | STRUCTURE OF RECOMBINANT ALPHAEC DOMAIN FROM HUMAN FIBRINOGEN-420 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Spraggon, G, Applegate, D, Everse, S.J, Zhang, J.-Z, Veerapandian, L, Redman, C, Doolittle, R.F, Grieninger, G. | | Deposit date: | 1998-06-22 | | Release date: | 1998-08-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a recombinant alphaEC domain from human fibrinogen-420.
Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
3FVF
 | | The Crystal Structure of Prostasin Complexed with Camostat at 1.6 Angstroms Resolution | | Descriptor: | 1-[4-(hydroxymethyl)phenyl]guanidine, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | | Deposit date: | 2009-01-15 | | Release date: | 2009-05-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
|
|
4Z49
 | |
2HH5
 | | Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide | | Descriptor: | CHLORIDE ION, Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ... | | Authors: | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S. | | Deposit date: | 2006-06-27 | | Release date: | 2006-08-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
3GYM
 | | Structure of Prostasin in Complex with Aprotinin | | Descriptor: | Pancreatic trypsin inhibitor, Prostasin | | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | | Deposit date: | 2009-04-03 | | Release date: | 2009-05-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
|
|
3GYL
 | | Structure of Prostasin at 1.3 Angstroms resolution in complex with a Calcium Ion. | | Descriptor: | CALCIUM ION, GLYCEROL, Prostasin | | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | | Deposit date: | 2009-04-03 | | Release date: | 2009-04-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
|
|
1QQR
 | | CRYSTAL STRUCTURE OF STREPTOKINASE DOMAIN B | | Descriptor: | STREPTOKINASE DOMAIN B | | Authors: | Spraggon, G, Zhang, X.X, Ponting, C.P, Fox, V.F, Phillips, C, Smith, R.A.G, Jones, E.Y, Dobson, C, Stuart, D.I. | | Deposit date: | 1999-06-07 | | Release date: | 1999-06-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Streptokinse Domain B
To be Published
|
|
2X9W
 | | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN, GLYCEROL | | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | | Deposit date: | 2010-03-25 | | Release date: | 2010-06-30 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
|
|
2X9Y
 | | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN | | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | | Deposit date: | 2010-03-25 | | Release date: | 2010-06-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
|
|
2X9X
 | | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN, IMIDAZOLE, SODIUM ION | | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | | Deposit date: | 2010-03-25 | | Release date: | 2010-06-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
|
|
