5G5D
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![BU of 5g5d by Molmil](/molmil-images/mine/5g5d) | Crystal Structure of the CohScaC2-XDocCipA type II complex from Clostridium thermocellum | Descriptor: | CALCIUM ION, CELLULOSOMAL-SCAFFOLDING PROTEIN A, CELLULOSOME ANCHORING PROTEIN COHESIN REGION | Authors: | Carvalho, A.L, A Bras, J.L, Najmudin, S.H, Pinheiro, B.A, Fontes, C.M.G.A. | Deposit date: | 2016-05-23 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Diverse specificity of cellulosome attachment to the bacterial cell surface. Sci Rep, 6, 2016
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2XQO
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![BU of 2xqo by Molmil](/molmil-images/mine/2xqo) | CtCel124: a cellulase from Clostridium thermocellum | Descriptor: | Dockerin type 1, NICKEL (II) ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Carvalho, A.L, Verze, G, Bras, J.L.A, Cartmell, A, Bayer, E.A, Vazana, Y, Correia, M.A.S, Prates, J.A.M, Gilbert, H.J, Fontes, C.M.G.A, Romao, M.J. | Deposit date: | 2010-09-06 | Release date: | 2011-03-02 | Last modified: | 2021-02-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Insights Into a Unique Cellulase Fold and Mechanism of Cellulose Hydrolysis Proc.Natl.Acad.Sci.USA, 108, 2011
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7ZS8
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![BU of 7zs8 by Molmil](/molmil-images/mine/7zs8) | Mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae at 1.4 Angstrom resolution | Descriptor: | CALCIUM ION, Cytochrome-c peroxidase, HEME C, ... | Authors: | Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C. | Deposit date: | 2022-05-06 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Characterization of Neisseria gonorrhoeae Bacterial Peroxidase-Insights into the Catalytic Cycle of Bacterial Peroxidases. Int J Mol Sci, 24, 2023
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1OHZ
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![BU of 1ohz by Molmil](/molmil-images/mine/1ohz) | Cohesin-Dockerin complex from the cellulosome of Clostridium thermocellum | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CELLULOSOMAL SCAFFOLDING PROTEIN A, ... | Authors: | Carvalho, A.L, Dias, F.M.V, Prates, J.A.M, Ferreira, L.M.A, Gilbert, H.J, Davies, G.J, Romao, M.J, Fontes, C.M.G.A. | Deposit date: | 2003-06-04 | Release date: | 2003-11-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cellulosome Assembly Revealed by the Crystal Structure of the Cohesin-Dockerin Complex Proc.Natl.Acad.Sci.USA, 100, 2003
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6QKN
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![BU of 6qkn by Molmil](/molmil-images/mine/6qkn) | Structure of the azide-inhibited form of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae | Descriptor: | AZIDE ION, CALCIUM ION, Cytochrome-c peroxidase, ... | Authors: | Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C. | Deposit date: | 2019-01-29 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae To Be Published
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2BM3
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![BU of 2bm3 by Molmil](/molmil-images/mine/2bm3) | Structure of the Type II cohesin from Clostridium thermocellum SdbA | Descriptor: | ISOPROPYL ALCOHOL, SCAFFOLDING DOCKERIN BINDING PROTEIN A | Authors: | Carvalho, A.L, Gloster, T.M, Pires, V.M.R, Proctor, M.R, Prates, J.A.M, Ferreira, L.M.A, Turkenburg, J.P, Romao, M.J, Davies, G.J, Gilbert, H.J, Fontes, C.M.G.A. | Deposit date: | 2005-03-09 | Release date: | 2005-03-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights Into the Structural Determinants of Cohesin-Dockerin Specificity Revealed by the Crystal Structure of the Type II Cohesin from Clostridium Thermocellum Sdba. J.Mol.Biol., 349, 2005
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2C24
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![BU of 2c24 by Molmil](/molmil-images/mine/2c24) | FAMILY 30 CARBOHYDRATE-BINDING MODULE OF CELLULOSOMAL CELLULASE CEL9D- CEL44B OF CLOSTRIDIUM THERMOCELLUM | Descriptor: | ENDOGLUCANASE | Authors: | Carvalho, A.L, Alves, V.D, Najmudin, S, Romao, M.J, Prates, J.A.M, Ferreira, L.M.A, Bolam, D.N, Gilbert, H.J, Fontes, C.M.G.A. | Deposit date: | 2005-09-26 | Release date: | 2005-11-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Xyloglucan is Recognized by Carbohydrate-Binding Modules that Interact with Beta-Glucan Chains. J.Biol.Chem., 281, 2006
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2CCL
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![BU of 2ccl by Molmil](/molmil-images/mine/2ccl) | THE S45A, T46A MUTANT OF THE TYPE I COHESIN-DOCKERIN COMPLEX FROM THE CELLULOSOME OF CLOSTRIDIUM THERMOCELLUM | Descriptor: | CALCIUM ION, CELLULOSOMAL SCAFFOLDING PROTEIN A, ENDO-1,4-BETA-XYLANASE Y, ... | Authors: | Carvalho, A.L, Dias, F.M.V, Prates, J.A.M, Ferreira, L.M.A, Gilbert, H.J, Davies, G.J, Romao, M.J, Fontes, C.M.G.A. | Deposit date: | 2006-01-16 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Evidence for a Dual Binding Mode of Dockerin Modules to Cohesins. Proc.Natl.Acad.Sci.USA, 104, 2007
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6FU3
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![BU of 6fu3 by Molmil](/molmil-images/mine/6fu3) | Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae | Descriptor: | CALCIUM ION, HEME C, Protein CcpR | Authors: | Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C. | Deposit date: | 2018-02-26 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae To Be Published
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1GVZ
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![BU of 1gvz by Molmil](/molmil-images/mine/1gvz) | Prostate Specific Antigen (PSA) from stallion seminal plasma | Descriptor: | ACETATE ION, GLYCEROL, KALLIKREIN-1E2 | Authors: | Carvalho, A.L, Sanz, L, Barettino, D, Romero, A, Calvete, J.J, Romao, M.J. | Deposit date: | 2002-02-28 | Release date: | 2002-09-12 | Last modified: | 2011-09-21 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal Structure of a Prostate Kallikrein Isolated from Stallion Seminal Plasma: A Homologue of Human Psa J.Mol.Biol., 322, 2002
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4AB4
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![BU of 4ab4 by Molmil](/molmil-images/mine/4ab4) | Structure of Xenobiotic Reductase B from Pseudomonas putida in complex with TNT | Descriptor: | 1,2-ETHANEDIOL, 2,4,6-TRINITROTOLUENE, FLAVIN MONONUCLEOTIDE, ... | Authors: | Carvalho, A.L, Mukhopadhyay, A, Romao, M.J, Bursakov, S, Kladova, A, Ramos, J.L, van Dillewijn, P. | Deposit date: | 2011-12-06 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Determinants of Aromatic Ring Reduction in the Xenobiotic Reductase B from Pseudomonas Putida To be Published
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4AEO
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![BU of 4aeo by Molmil](/molmil-images/mine/4aeo) | Structure of Xenobiotic Reductase B from Pseudomonas putida in complex with TNT | Descriptor: | 2,4,6-TRINITROTOLUENE, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Carvalho, A.L, Mukhopadhyay, A, Romao, M.J, Bursakov, S, Kladova, A, Ramos, J.L, van Dillewijn, P. | Deposit date: | 2012-01-11 | Release date: | 2013-01-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Determinants of Aromatic Ring Reduction in the Xenobiotic Reductase B from Pseudomonas Putida To be Published
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1V0A
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![BU of 1v0a by Molmil](/molmil-images/mine/1v0a) | Family 11 Carbohydrate-Binding Module of cellulosomal cellulase Lic26A-Cel5E of Clostridium thermocellum | Descriptor: | CALCIUM ION, ENDOGLUCANASE H, SULFATE ION | Authors: | Carvalho, A.L, Romao, M.J, Goyal, A, Prates, J.A.M, Pires, V.M.R, Ferreira, L.M.A, Bolam, D.N, Gilbert, H.J, Fontes, C.M.G.A. | Deposit date: | 2004-03-25 | Release date: | 2005-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Family 11 Carbohydrate-Binding Module of Clostridium Thermocellum Lic26A-Cel5E Accomodates Beta-1,4- and Beta-1,3-1,4-Mixed Linked Glucans at a Single Binding Site J.Biol.Chem., 279, 2004
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3UL4
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![BU of 3ul4 by Molmil](/molmil-images/mine/3ul4) | Crystal structure of Coh-OlpA(Cthe_3080)-Doc918(Cthe_0918) complex: A novel type I Cohesin-Dockerin complex from Clostridium thermocellum ATTC 27405 | Descriptor: | CALCIUM ION, Cellulosome enzyme, dockerin type I, ... | Authors: | Alves, V.D, Carvalho, A.L, Najmudin, S.H, Bras, J, Prates, J.A.M, Fontes, C.M.G.A. | Deposit date: | 2011-11-10 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Novel Clostridium thermocellum Type I Cohesin-Dockerin Complexes Reveal a Single Binding Mode. J.Biol.Chem., 287, 2012
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8OGD
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![BU of 8ogd by Molmil](/molmil-images/mine/8ogd) | Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ... | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | Deposit date: | 2023-03-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase. J.Inorg.Biochem., 244, 2023
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8OGE
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![BU of 8oge by Molmil](/molmil-images/mine/8oge) | Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ... | Authors: | Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C. | Deposit date: | 2023-03-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase. J.Inorg.Biochem., 244, 2023
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6R31
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![BU of 6r31 by Molmil](/molmil-images/mine/6r31) | Family 11 Carbohydrate-Binding Module from Clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked tetrasaccharide | Descriptor: | CALCIUM ION, Endoglucanase H, PHOSPHATE ION, ... | Authors: | Ribeiro, D.O, Carvalho, A.L. | Deposit date: | 2019-03-19 | Release date: | 2020-02-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis for the preferential recognition of beta 1,3-1,4-glucans by the family 11 carbohydrate-binding module from Clostridium thermocellum. Febs J., 287, 2020
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1CFW
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![BU of 1cfw by Molmil](/molmil-images/mine/1cfw) | GA-SUBSTITUTED DESULFOREDOXIN | Descriptor: | GALLIUM (III) ION, PROTEIN (DESULFOREDOXIN), SULFATE ION | Authors: | Archer, M, Carvalho, A.L, Teixeira, S, Moura, I, Moura, J.J.G, Rusnak, F, Romao, M.J. | Deposit date: | 1999-03-22 | Release date: | 1999-07-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural studies by X-ray diffraction on metal substituted desulforedoxin, a rubredoxin-type protein. Protein Sci., 8, 1999
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2Y3N
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![BU of 2y3n by Molmil](/molmil-images/mine/2y3n) | Type II cohesin-dockerin domain from Bacteroides cellolosolvens | Descriptor: | CALCIUM ION, CELLULOSOMAL FAMILY-48 PROCESSIVE GLYCOSIDE HYDROLASE, CELLULOSOMAL SCAFFOLDIN | Authors: | Viegas, A, Carvalho, A.L, Romao, M.J, Prates, J.A.M, Fontes, C.M.G.A. | Deposit date: | 2010-12-22 | Release date: | 2012-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Type II Cohesin-Dockerin Domain from Bacteroides Cellolosolvens To be Published
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7ZVO
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![BU of 7zvo by Molmil](/molmil-images/mine/7zvo) | Structure of CBM BT0996-C from Bacteroides thetaiotaomicron | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ALANINE, BETA-MERCAPTOETHANOL, ... | Authors: | Trovao, F, Pinheiro, B.A, Correia, V.G, Palma, A.S, Carvalho, A.L. | Deposit date: | 2022-05-16 | Release date: | 2023-02-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The structure of a Bacteroides thetaiotaomicron carbohydrate-binding module provides new insight into the recognition of complex pectic polysaccharides by the human microbiome. J Struct Biol X, 7, 2023
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5AOZ
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![BU of 5aoz by Molmil](/molmil-images/mine/5aoz) | High resolution SeMet structure of the third cohesin from Ruminococcus flavefaciens scaffoldin protein, ScaB | Descriptor: | GLYCEROL, PUTATIVE CELLULOSOMAL SCAFFOLDIN PROTEIN | Authors: | Bule, P, Carvalho, A.L, Santos, H, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2015-09-14 | Release date: | 2016-09-28 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Structural Characterization of the Third Cohesin from Ruminococcus Flavefaciens Scaffoldin Protein, Scab To be Published
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1Y07
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![BU of 1y07 by Molmil](/molmil-images/mine/1y07) | Crystal structure of the superoxide reductase from Treponema pallidum | Descriptor: | FE (III) ION, MAGNESIUM ION, desulfoferrodoxin (rbo) | Authors: | Santos-Silva, T, Trincao, J, Carvalho, A.L, Bonifacio, C, Auchere, F, Moura, J, Romao, M.J. | Deposit date: | 2004-11-15 | Release date: | 2005-11-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The first crystal structure of class III superoxide reductase from Treponema pallidum. J.Biol.Inorg.Chem., 11, 2006
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4AYZ
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![BU of 4ayz by Molmil](/molmil-images/mine/4ayz) | X-ray Structure of human SOUL | Descriptor: | HEME-BINDING PROTEIN 2 | Authors: | Freire, F, Carvalho, A.L, Aveiro, S.S, Charbonnier, P, Moulis, J.M, Romao, M.J, Goodfellow, B.J, Macedo, A.L. | Deposit date: | 2012-06-22 | Release date: | 2012-07-11 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Human Soul: A Heme-Binding or a Bh3 Domain-Containing Protein To be Published
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4B0Y
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![BU of 4b0y by Molmil](/molmil-images/mine/4b0y) | Determination of X-ray Structure of human SOUL by Molecular Replacement | Descriptor: | HEME-BINDING PROTEIN 2 | Authors: | Freire, F, Carvalho, A.L, Aveiro, S.S, Charbonnier, P, Moulis, J.M, Romao, M.J, Goodfellow, B.J, Macedo, A.L. | Deposit date: | 2012-07-06 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Human Soul: A Heme-Binding or a Bh3 Domain-Containing Protein To be Published
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6R3M
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![BU of 6r3m by Molmil](/molmil-images/mine/6r3m) | Family 11 Carbohydrate-Binding Module from Clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked tetrasaccharide | Descriptor: | ACETATE ION, CALCIUM ION, Endoglucanase H, ... | Authors: | Ribeiro, D.O, Carvalho, A.L. | Deposit date: | 2019-03-20 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Molecular basis for the preferential recognition of beta 1,3-1,4-glucans by the family 11 carbohydrate-binding module from Clostridium thermocellum. Febs J., 287, 2020
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