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7POO
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BU of 7poo by Molmil
Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with foliosidine in P212121.
Descriptor: ACETATE ION, BFT-3, PROLINE, ...
Authors:Eckhard, U, Guevara, T, Gomis-Ruth, F.X.
Deposit date:2021-09-09
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis.
Protein Sci., 31, 2022
7POL
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BU of 7pol by Molmil
Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with flumequine
Descriptor: (12~{R})-7-fluoranyl-12-methyl-4-oxidanylidene-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5(13),6,8-tetraene-3-carboxylic acid, BFT-3, CHLORIDE ION, ...
Authors:Eckhard, U, Guevara, T, Gomis-Ruth, F.X.
Deposit date:2021-09-09
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis.
Protein Sci., 31, 2022
3DKX
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BU of 3dkx by Molmil
Crystal Structure of the replication initiator protein encoded on plasmid pMV158 (RepB), trigonal form, to 2.7 Ang resolution
Descriptor: CHLORIDE ION, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Boer, D.R, Ruiz-Maso, J.A, Blanco, A.G, Vives-Llacer, M, Uson, I, Gomis-Ruth, F.X, Espinosa, M, Del Solar, G, Coll, M.
Deposit date:2008-06-26
Release date:2009-06-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Plasmid replication initiator RepB forms a hexamer reminiscent of ring helicases and has mobile nuclease domains
Embo J., 28, 2009
3DKY
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BU of 3dky by Molmil
Crystal Structure of the replication initiator protein encoded on plasmid pMV158 (RepB), tetragonal form, to 3.6 Ang resolution
Descriptor: MANGANESE (II) ION, Replication protein repB
Authors:Boer, D.R, Ruiz-Maso, J.A, Blanco, A.G, Vives-Llacer, M, Uson, I, Gomis-Ruth, F.X, Espinosa, M, Del Solar, G, Coll, M.
Deposit date:2008-06-26
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Plasmid replication initiator RepB forms a hexamer reminiscent of ring helicases and has mobile nuclease domains
Embo J., 28, 2009
1SAX
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BU of 1sax by Molmil
Three-dimensional structure of s.aureus methicillin-resistance regulating transcriptional repressor meci in complex with 25-bp ds-DNA
Descriptor: 5'-d(CAAAATTACAACTGTAATATCGGAG)-3', 5'-d(GCTCCGATATTACAGTTGTAATTTT)-3', Methicillin resistance regulatory protein mecI, ...
Authors:Garcia-Castellanos, R, Mallorqui-Fernandez, G, Marrero, A, Potempa, J, Coll, M, Gomis-Ruth, F.X.
Deposit date:2004-02-09
Release date:2004-04-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:On the transcriptional regulation of methicillin resistance: MecI repressor in complex with its operator
J.Biol.Chem., 279, 2004
3H8T
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BU of 3h8t by Molmil
Structure of Porphyromonas gingivalis heme-binding protein HmuY in complex with Heme
Descriptor: GLYCEROL, HmuY, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wojtowicz, H, Guevara, T, Tallant, C, Olczak, M, Sroka, A, Potempa, J, Sola, M, Olczak, T, Gomis-Ruth, F.X.
Deposit date:2009-04-29
Release date:2009-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Unique structure and stability of HmuY, a novel heme-binding protein of Porphyromonas gingivalis
Plos Pathog., 5, 2009
4IN9
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BU of 4in9 by Molmil
Structure of karilysin MMP-like catalytic domain in complex with inhibitory tetrapeptide SWFP
Descriptor: GLYCEROL, Karilysin protease, POTASSIUM ION, ...
Authors:Guevara, T, Ksiazek, M, Skottrup, P.D, Cerda-Costa, N, Trillo-Muyo, S, de Diego, I, Riise, E, Potempa, J, Gomis-Ruth, F.X.
Deposit date:2013-01-04
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of the catalytic domain of the Tannerella forsythia matrix metallopeptidase karilysin in complex with a tetrapeptidic inhibitor.
Acta Crystallogr.,Sect.F, 69, 2013
4QHF
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BU of 4qhf by Molmil
Crystal structure of Methanocaldococcus jannaschii monomeric selecase
Descriptor: GLYCEROL, NICKEL (II) ION, Uncharacterized protein MJ1213
Authors:Lopez-pelegrin, M, Cerda-costa, N, Cintas-pedrola, A, Herranz-trillo, F, Bernado, P, Peinado, J.R, Arolas, J.L, Gomis-ruth, F.X.
Deposit date:2014-05-28
Release date:2014-07-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase
Angew.Chem.Int.Ed.Engl., 53, 2014
4QHI
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BU of 4qhi by Molmil
Crystal structure of Methanocaldococcus jannaschii selecase mutant R36W
Descriptor: CHLORIDE ION, GLYCEROL, Uncharacterized protein MJ1213, ...
Authors:Lopez-pelegrin, M, Cerda-costa, N, Cintas-pedrola, A, Herranz-trillo, F, Bernado, P, Peinado, J.R, Arolas, J.L, Gomis-ruth, F.X.
Deposit date:2014-05-28
Release date:2014-07-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase
Angew.Chem.Int.Ed.Engl., 53, 2014
4QHJ
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BU of 4qhj by Molmil
Crystal structure of Methanocaldococcus jannaschii selecase mutant I100F+H107F
Descriptor: ACETATE ION, GLYCEROL, Uncharacterized protein MJ1213, ...
Authors:Lopez-pelegrin, M, Cerda-costa, N, Cintas-pedrola, A, Herranz-trillo, F, Bernado, P, Peinado, J.R, Arolas, J.L, Gomis-ruth, F.X.
Deposit date:2014-05-28
Release date:2014-07-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase
Angew.Chem.Int.Ed.Engl., 53, 2014
4QHG
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BU of 4qhg by Molmil
Crystal structure of Methanocaldococcus jannaschii dimeric selecase
Descriptor: GLYCEROL, Uncharacterized protein MJ1213, ZINC ION
Authors:Lopez-pelegrin, M, Cerda-costa, N, Cintas-pedrola, A, Herranz-trillo, F, Bernado, P, Peinado, J.R, Arolas, J.L, Gomis-ruth, F.X.
Deposit date:2014-05-28
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase
Angew.Chem.Int.Ed.Engl., 53, 2014
4QHH
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BU of 4qhh by Molmil
Crystal structure of Methanocaldococcus jannaschii tetrameric selecase
Descriptor: GLYCEROL, SODIUM ION, Uncharacterized protein MJ1213, ...
Authors:Lopez-pelegrin, M, Cerda-costa, N, Cintas-pedrola, A, Herranz-trillo, F, Bernado, P, Peinado, J.R, Arolas, J.L, Gomis-ruth, F.X.
Deposit date:2014-05-28
Release date:2014-07-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase
Angew.Chem.Int.Ed.Engl., 53, 2014
4RBM
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BU of 4rbm by Molmil
Porphyromonas gingivalis gingipain K (Kgp) catalytic and immunoglobulin superfamily-like domains
Descriptor: (3S)-3,7-diaminoheptan-2-one, ACETATE ION, AZIDE ION, ...
Authors:de Diego, I, Veillard, F, Sztukowska, M.N, Guevara, T, Potempa, B, Pomowski, A, Huntington, J.A, Potempa, J, Gomis-Ruth, F.X.
Deposit date:2014-09-12
Release date:2014-10-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Mechanism of Cysteine Peptidase Gingipain K (Kgp), a Major Virulence Factor of Porphyromonas gingivalis in Periodontitis.
J.Biol.Chem., 289, 2014
4R3V
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BU of 4r3v by Molmil
Structure of karilysin propeptide and catalytic MMP domain
Descriptor: CALCIUM ION, GLYCEROL, Karilysin, ...
Authors:Lopez-Pelegrin, M, Ksiazek, M, Karim, A.Y, Guevara, T, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X.
Deposit date:2014-08-18
Release date:2015-01-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A novel mechanism of latency in matrix metalloproteinases.
J.Biol.Chem., 290, 2015
1NQ6
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BU of 1nq6 by Molmil
Crystal Structure of the catalytic domain of xylanase A from Streptomyces halstedii JM8
Descriptor: MAGNESIUM ION, Xys1
Authors:Canals, A, Vega, M.C, Gomis-Ruth, F.X, Santamaria, R.I, Coll, M.
Deposit date:2003-01-21
Release date:2004-01-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure of xylanase Xys1delta from Streptomyces halstedii.
Acta Crystallogr.,Sect.D, 59, 2003
1OKR
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BU of 1okr by Molmil
Three-dimensional structure of S.aureus methicillin-resistance regulating transcriptional repressor MecI.
Descriptor: CHLORIDE ION, GLYCEROL, METHICILLIN RESISTANCE REGULATORY PROTEIN MECI
Authors:Garcia-Castellanos, R, Marrero, A, Mallorqui-Fernandez, G, Potempa, J, Coll, M, Gomis-Ruth, F.X.
Deposit date:2003-07-28
Release date:2003-10-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three-Dimensional Structure of Meci: Molecular Basis for Transcriptional Regulation of Staphylococcal Methicillin Resistance
J.Biol.Chem., 278, 2003
4YU5
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BU of 4yu5 by Molmil
Crystal structure of selenomethionine variant of Bacillus anthracis immune inhibitor A2 peptidase zymogen
Descriptor: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, CALCIUM ION, GLYCEROL, ...
Authors:Arolas, J.L, Goulas, T, Gomis-Ruth, F.X.
Deposit date:2015-03-18
Release date:2015-10-28
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis for Latency and Function of Immune Inhibitor A Metallopeptidase, a Modulator of the Bacillus anthracis Secretome.
Structure, 24, 2016
4YTG
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BU of 4ytg by Molmil
Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) mutant C351A in complex with dipeptide Met-Arg.
Descriptor: ARGININE, AZIDE ION, CHLORIDE ION, ...
Authors:Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X.
Deposit date:2015-03-17
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase.
Sci Rep, 5, 2015
4YU6
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BU of 4yu6 by Molmil
Crystal structure of Bacillus anthracis immune inhibitor A2 peptidase zymogen
Descriptor: ACETONITRILE, CALCIUM ION, Immune inhibitor A, ...
Authors:Arolas, J.L, Goulas, T, Gomis-Ruth, F.X.
Deposit date:2015-03-18
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Latency and Function of Immune Inhibitor A Metallopeptidase, a Modulator of the Bacillus anthracis Secretome.
Structure, 24, 2016
5AG8
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BU of 5ag8 by Molmil
CRYSTAL STRUCTURE OF A MUTANT (665I6H) OF THE C-TERMINAL DOMAIN OF RGPB
Descriptor: GINGIPAIN R2, GLYCEROL, SULFATE ION
Authors:de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J.
Deposit date:2015-01-29
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Outer-Membrane Export Signal of Porphyromonas Gingivalis Type Ix Secretion System (T9Ss) is a Conserved C-Terminal Beta-Sandwich Domain.
Sci.Rep., 6, 2016
5A42
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BU of 5a42 by Molmil
Cryo-EM single particle 3D reconstruction of the native conformation of E. coli alpha-2-macroglobulin (ECAM)
Descriptor: UNCHARACTERIZED LIPOPROTEIN YFHM
Authors:Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, F.X.
Deposit date:2015-06-04
Release date:2015-07-29
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (16 Å)
Cite:Structural and Functional Insights Into Escherichia Coli Alpha2- Macroglobulin Endopeptidase Snap-Trap Inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
5AG9
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BU of 5ag9 by Molmil
CRYSTAL STRUCTURE OF A MUTANT (665sXa) C-TERMINAL DOMAIN OF RGPB
Descriptor: Gingipain R2, SULFATE ION
Authors:de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J.
Deposit date:2015-01-29
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain.
Sci Rep, 6, 2016
5A24
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BU of 5a24 by Molmil
Crystal structure of Dionain-1, the major endopeptidase in the Venus flytrap digestive juice
Descriptor: DIONAIN-1, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, PHOSPHATE ION
Authors:Risor, M.W, Thomsen, L.R, Sanggaard, K.W, Nielsen, T.A, Thogersen, I.B, Lukassen, M.V, Rossen, L, Garcia-Ferrer, I, Guevara, T, Meinjohanns, E, Nielsen, N.C, Gomis-Ruth, F.X, Enghild, J.J.
Deposit date:2015-05-12
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enzymatic and Structural Characterization of the Major Endopeptidase in the Venus Flytrap Digestion Fluid.
J.Biol.Chem., 291, 2016
2IWA
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BU of 2iwa by Molmil
Unbound glutaminyl cyclotransferase from Carica papaya.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLUTAMINE CYCLOTRANSFERASE, ...
Authors:Guevara, T, Mallorqui-Fernandez, N, Garcia-Castellanos, R, Petersen, G.E, Lauritzen, C, Pedersen, J, Arnau, J, Gomis-Ruth, F.X, Sola, M.
Deposit date:2006-06-27
Release date:2006-07-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Papaya Glutamine Cyclotransferase Shows a Singular Five-Fold Beta-Propeller Architecture that Suggests a Novel Reaction Mechanism.
Biol.Chem., 387, 2006
2IYN
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BU of 2iyn by Molmil
The co-factor-induced pre-active conformation in PhoB
Descriptor: MAGNESIUM ION, PHOSPHATE REGULON TRANSCRIPTIONAL REGULATORY PROTEIN PHOB
Authors:Sola, M, Drew, D.L, Blanco, A.G, Gomis-Ruth, F.X, Coll, M.
Deposit date:2006-07-19
Release date:2006-08-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The Cofactor-Induced Pre-Active Conformation in Phob.
Acta Crystallogr.,Sect.D, 62, 2006

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