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2X9Z
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BU of 2x9z by Molmil
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 (1.3 Å)
Cite:Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
2X9Y
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BU of 2x9y by Molmil
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
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BU of 2x9x by Molmil
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:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
1QQR
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BU of 1qqr by Molmil
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
1SJ5
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BU of 1sj5 by Molmil
Crystal structure of a duf151 family protein (tm0160) from thermotoga maritima at 2.8 A resolution
Descriptor: conserved hypothetical protein TM0160
Authors:Spraggon, G, Panatazatos, D, Klock, H.E, Wilson, I.A, Woods Jr, V.L, Lesley, S.A, Joint Center for Structural Genomics (JCSG)
Deposit date:2004-03-02
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:On the use of DXMS to produce more crystallizable proteins: structures of the T. maritima proteins TM0160 and TM1171.
Protein Sci., 13, 2004
3E0N
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BU of 3e0n by Molmil
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
3E1X
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BU of 3e1x by Molmil
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
3FVF
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BU of 3fvf by Molmil
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
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BU of 3gym by Molmil
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
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BU of 3gyl by Molmil
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
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BU of 2x9w by Molmil
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:2019-10-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus.
Plos One, 5, 2010
1FZD
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BU of 1fzd by Molmil
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
1FZA
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BU of 1fza by Molmil
CRYSTAL STRUCTURE OF FIBRINOGEN FRAGMENT D
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN
Authors:Spraggon, G, Everse, S.J, Doolittle, R.F.
Deposit date:1997-08-05
Release date:1997-12-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of fragment D from human fibrinogen and its crosslinked counterpart from fibrin.
Nature, 389, 1997
1FZB
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BU of 1fzb by Molmil
CRYSTAL STRUCTURE OF CROSSLINKED FRAGMENT D
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN, ...
Authors:Spraggon, G, Everse, S.J, Doolittle, R.F.
Deposit date:1997-08-05
Release date:1997-12-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of fragment D from human fibrinogen and its crosslinked counterpart from fibrin.
Nature, 389, 1997
1I7Q
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BU of 1i7q by Molmil
ANTHRANILATE SYNTHASE FROM S. MARCESCENS
Descriptor: ANTHRANILATE SYNTHASE, BENZOIC ACID, GLUTAMIC ACID, ...
Authors:Spraggon, G, Kim, C, Nguyen-Huu, X, Yee, M.-C, Yanofsky, C, Mills, S.E.
Deposit date:2001-03-10
Release date:2001-05-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structures of anthranilate synthase of Serratia marcescens crystallized in the presence of (i) its substrates, chorismate and glutamine, and a product, glutamate, and (ii) its end-product inhibitor, L-tryptophan.
Proc.Natl.Acad.Sci.USA, 98, 2001
1I7S
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BU of 1i7s by Molmil
ANTHRANILATE SYNTHASE FROM SERRATIA MARCESCENS IN COMPLEX WITH ITS END PRODUCT INHIBITOR L-TRYPTOPHAN
Descriptor: ANTHRANILATE SYNTHASE, TRPG, TRYPTOPHAN
Authors:Spraggon, G, Kim, C, Nguyen-Huu, X, Yee, M.-C, Yanofsky, C, Mills, S.E.
Deposit date:2001-03-10
Release date:2001-05-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structures of anthranilate synthase of Serratia marcescens crystallized in the presence of (i) its substrates, chorismate and glutamine, and a product, glutamate, and (ii) its end-product inhibitor, L-tryptophan.
Proc.Natl.Acad.Sci.USA, 98, 2001
7KEV
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BU of 7kev by Molmil
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
4Z49
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BU of 4z49 by Molmil
Homo Sapiens Fatty Acid Synthetase, Thioesterase Domain at 1.7 Angstroms Resolution
Descriptor: Fatty acid synthase, POTASSIUM ION
Authors:Spraggon, G.
Deposit date:2015-04-01
Release date:2016-03-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Estimation of Hydrogen-Exchange Protection Factors from MD Simulation Based on Amide Hydrogen Bonding Analysis.
J.Chem.Inf.Model., 55, 2015
3M0C
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BU of 3m0c by Molmil
The X-ray Crystal Structure of PCSK9 in Complex with the LDL receptor
Descriptor: CALCIUM ION, Low-density lipoprotein receptor, Proprotein convertase subtilisin/kexin type 9
Authors:Spraggon, G, Hampton, E.N.
Deposit date:2010-03-02
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (7.01 Å)
Cite:The X-ray Crystal Structure of PCSK9 in Complex with the LDL receptor
To be Published
4E9L
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BU of 4e9l by Molmil
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
2HH5
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BU of 2hh5 by Molmil
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
1T6H
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BU of 1t6h by Molmil
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
3E16
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BU of 3e16 by Molmil
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
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BU of 3e0p by Molmil
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
2OP3
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BU of 2op3 by Molmil
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

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