2PJW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pjw by Molmil](/molmil-images/mine/2pjw) | |
1K9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1k9t by Molmil](/molmil-images/mine/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: | 2023-10-25 | 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
|
|
1P3Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1p3q by Molmil](/molmil-images/mine/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: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of Ubiquitin Recognition by the CUE Domain of Vps9p. Cell(Cambridge,Mass.), 113, 2003
|
|
1YD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yd8 by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mn3 by Molmil](/molmil-images/mine/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: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanism of Ubiquitin Recognition by the CUE Domain of Vps9p Cell(Cambridge,Mass.), 113, 2003
|
|
1C7T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c7t by Molmil](/molmil-images/mine/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: | 2023-08-09 | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c7s by Molmil](/molmil-images/mine/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: | 2023-08-09 | 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
|
|
1T6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t6h by Molmil](/molmil-images/mine/1t6h) | Crystal Structure T4 Lysozyme incorporating an unnatural amino acid p-iodo-L-phenylalanine at position 153 | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme | Authors: | Spraggon, G, Xie, J, Wang, L, Wu, N, Brock, A, Schultz, P.G. | Deposit date: | 2004-05-06 | Release date: | 2004-10-26 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The site-specific incorporation of p-iodo-L-phenylalanine into proteins for structure determination. Nat.Biotechnol., 22, 2004
|
|
4E9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e9l by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3m0c by Molmil](/molmil-images/mine/3m0c) | |
7KEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kev by Molmil](/molmil-images/mine/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
|
|
3E0N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e0n by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e16 by Molmil](/molmil-images/mine/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
|
|
3E0P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e0p by Molmil](/molmil-images/mine/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: | 2021-10-20 | 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
|
|
3E1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e1x by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fzd by Molmil](/molmil-images/mine/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
|
|
2HH5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hh5 by Molmil](/molmil-images/mine/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
|
|
4Z49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z49 by Molmil](/molmil-images/mine/4z49) | |
3FVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fvf by Molmil](/molmil-images/mine/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: | 2021-10-20 | 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
|
|
3GYM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gym by Molmil](/molmil-images/mine/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: | 2023-09-06 | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gyl by Molmil](/molmil-images/mine/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: | 2023-09-06 | 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
|
|
2X9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x9w by Molmil](/molmil-images/mine/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
|
|
2X9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x9z by Molmil](/molmil-images/mine/2x9z) | 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: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus. Plos One, 5, 2010
|
|
2X9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x9y by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x9x by Molmil](/molmil-images/mine/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: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus. Plos One, 5, 2010
|
|