8QQC
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![BU of 8qqc by Molmil](/molmil-images/mine/8qqc) | Crystal structure of Lymantria dispar CPV14 polyhedra single crystal | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | Deposit date: | 2023-10-04 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source To Be Published
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8QPH
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![BU of 8qph by Molmil](/molmil-images/mine/8qph) | Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | Deposit date: | 2023-10-02 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source To Be Published
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3ZYV
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![BU of 3zyv by Molmil](/molmil-images/mine/3zyv) | Crystal structure of the mouse liver Aldehyde Oxidase 3 (mAOX3) | Descriptor: | AOX3, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Trincao, J, Coelho, C, Mahro, M, Rodrigues, D, Terao, M, Garattini, E, Leimkuehler, S, Romao, M.J. | Deposit date: | 2011-08-27 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | The First Mammalian Aldehyde Oxidase Crystal Structure: Insights Into Substrate Specificity. J.Biol.Chem., 287, 2012
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1JIH
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![BU of 1jih by Molmil](/molmil-images/mine/1jih) | Yeast DNA Polymerase ETA | Descriptor: | DNA Polymerase ETA | Authors: | Trincao, J, Johnson, R.E, Escalante, C.R, Prakash, S, Prakash, L, Aggarwal, A.K. | Deposit date: | 2001-07-02 | Release date: | 2002-01-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of the catalytic core of S. cerevisiae DNA polymerase eta: implications for translesion DNA synthesis Mol.Cell, 8, 2001
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1S97
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![BU of 1s97 by Molmil](/molmil-images/mine/1s97) | DPO4 with GT mismatch | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*G)-3', 5'-D(*T*TP*CP*AP*GP*TP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Trincao, J, Johnson, R.E, Wolfle, W.T, Escalante, C.R, Prakash, S, Prakash, L, Aggarwal, A.K. | Deposit date: | 2004-02-03 | Release date: | 2004-04-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dpo4 is hindered in extending a G.T mismatch by a reverse wobble Nat.Struct.Mol.Biol., 11, 2004
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1S9F
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![BU of 1s9f by Molmil](/molmil-images/mine/1s9f) | DPO with AT matched | Descriptor: | 2',3'-DIDEOXYCYTOSINE-5'-DIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*A)-3', 5'-D(*T*TP*CP*AP*GP*TP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Trincao, J, Johnson, R.E, Wolfle, W.T, Escalante, C.R, Prakash, S, Prakash, L, Aggarwal, A.K. | Deposit date: | 2004-02-04 | Release date: | 2005-02-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dpo4 is hindered in extending a G.T mismatch by a reverse wobble Nat.Struct.Mol.Biol., 11, 2004
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2P1E
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![BU of 2p1e by Molmil](/molmil-images/mine/2p1e) | Crystal structure of the Leishmania infantum glyoxalase II with D-Lactate at the active site | Descriptor: | Glyoxalase II, LACTIC ACID, SPERMIDINE, ... | Authors: | Trincao, J, Barata, L, Najmudin, S, Bonifacio, C, Romao, M.J. | Deposit date: | 2007-03-05 | Release date: | 2008-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalysis and Structural Properties of Leishmania infantum Glyoxalase II: Trypanothione Specificity and Phylogeny. Biochemistry, 47, 2008
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2P18
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![BU of 2p18 by Molmil](/molmil-images/mine/2p18) | Crystal structure of the Leishmania infantum glyoxalase II | Descriptor: | ACETIC ACID, Glyoxalase II, SPERMIDINE, ... | Authors: | Trincao, J, Barata, L, Najmudin, S, Bonifacio, C, Romao, M.J. | Deposit date: | 2007-03-02 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Catalysis and Structural Properties of Leishmania infantum Glyoxalase II: Trypanothione Specificity and Phylogeny. Biochemistry, 47, 2008
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3L0S
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![BU of 3l0s by Molmil](/molmil-images/mine/3l0s) | Crystal structures of Zinc, Cobalt and Iron containing Adenylate kinase from Gram-negative bacteria Desulfovibrio gigas | Descriptor: | Adenylate kinase, COBALT (II) ION, D(-)-TARTARIC ACID | Authors: | Mukhopadhyay, A, Trincao, J, Romao, M.J. | Deposit date: | 2009-12-10 | Release date: | 2010-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the zinc-, cobalt-, and iron-containing adenylate kinase from Desulfovibrio gigas: a novel metal-containing adenylate kinase from Gram-negative bacteria J.Biol.Inorg.Chem., 16, 2011
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3L0P
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![BU of 3l0p by Molmil](/molmil-images/mine/3l0p) | Crystal structures of Iron containing Adenylate kinase from Desulfovibrio gigas | Descriptor: | Adenylate kinase, FE (III) ION, GLYCEROL | Authors: | Mukhopadhyay, A, Trincao, J, Romao, M.J. | Deposit date: | 2009-12-10 | Release date: | 2010-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the zinc-, cobalt-, and iron-containing adenylate kinase from Desulfovibrio gigas: a novel metal-containing adenylate kinase from Gram-negative bacteria J.Biol.Inorg.Chem., 16, 2011
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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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4ZXR
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![BU of 4zxr by Molmil](/molmil-images/mine/4zxr) | Structure of Thaumatin wrapped in graphene within vacuum | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Aller, P, Warren, A.J, Trincao, J, Evans, G. | Deposit date: | 2015-05-20 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | In vacuo X-ray data collection from graphene-wrapped protein crystals. Acta Crystallogr.,Sect.D, 71, 2015
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5N9M
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![BU of 5n9m by Molmil](/molmil-images/mine/5n9m) | Crystal structure of GatD - a glutamine amidotransferase from Staphylococcus aureus involved in peptidoglycan amidation | Descriptor: | Cobyric acid synthase, GLUTAMINE, TETRAETHYLENE GLYCOL | Authors: | Leisico, F, Vieira, D, Romao, M.R, Trincao, J, Santos-Silva, T. | Deposit date: | 2017-02-25 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | First insights of peptidoglycan amidation in Gram-positive bacteria - the high-resolution crystal structure of Staphylococcus aureus glutamine amidotransferase GatD. Sci Rep, 8, 2018
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3ML1
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![BU of 3ml1 by Molmil](/molmil-images/mine/3ml1) | Crystal Structure of the Periplasmic Nitrate Reductase from Cupriavidus necator | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DIOXOTHIOMOLYBDENUM(VI) ION, Diheme cytochrome c napB, ... | Authors: | Coelho, C, Trincao, J, Romao, M.J. | Deposit date: | 2010-04-16 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The crystal structure of Cupriavidus necator nitrate reductase in oxidized and partially reduced states J.Mol.Biol., 408, 2011
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4C3B
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![BU of 4c3b by Molmil](/molmil-images/mine/4c3b) | HRSV M2-1, P21 crystal form | Descriptor: | MATRIX PROTEIN 2-1, ZINC ION | Authors: | Tanner, S.J, Ariza, A, Richard, C.A, Wu, W, Trincao, J, Hiscox, J.A, Carroll, M.W, Silman, N.J, Eleouet, J.F, Edwards, T.A, Barr, J.N. | Deposit date: | 2013-08-22 | Release date: | 2014-01-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of the Essential Transcription Antiterminator M2-1 Protein of Human Respiratory Syncytial Virus and Implications of its Phosphorylation. Proc.Natl.Acad.Sci.USA, 111, 2014
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4C3E
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![BU of 4c3e by Molmil](/molmil-images/mine/4c3e) | HRSV M2-1 mutant S58D S61D, P21 crystal | Descriptor: | MATRIX M2-1, ZINC ION | Authors: | Tanner, S.J, Ariza, A, Richard, C.A, Wu, W, Trincao, J, Hiscox, J.A, Carroll, M.W, Silman, N.J, Eleouet, J.F, Edwards, T.A, Barr, J.N. | Deposit date: | 2013-08-22 | Release date: | 2014-01-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Essential Transcription Antiterminator M2-1 Protein of Human Respiratory Syncytial Virus and Implications of its Phosphorylation. Proc.Natl.Acad.Sci.USA, 111, 2014
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4C3D
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![BU of 4c3d by Molmil](/molmil-images/mine/4c3d) | HRSV M2-1, P422 crystal form | Descriptor: | CADMIUM ION, MATRIX M2-1 | Authors: | Tanner, S.J, Ariza, A, Richard, C.A, Wu, W, Trincao, J, Hiscox, J.A, Carroll, M.W, Silman, N.J, Eleouet, J.F, Edwards, T.A, Barr, J.N. | Deposit date: | 2013-08-22 | Release date: | 2014-01-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Crystal Structure of the Essential Transcription Antiterminator M2-1 Protein of Human Respiratory Syncytial Virus and Implications of its Phosphorylation. Proc.Natl.Acad.Sci.USA, 111, 2014
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3O5A
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![BU of 3o5a by Molmil](/molmil-images/mine/3o5a) | Crystal Structure of partially reduced Periplasmic Nitrate Reductase from Cupriavidus necator using Ionic Liquids | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CHLORIDE ION, DIOXOTHIOMOLYBDENUM(VI) ION, ... | Authors: | Coelho, C, Trincao, J, Romao, M.J. | Deposit date: | 2010-07-28 | Release date: | 2011-04-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The crystal structure of Cupriavidus necator nitrate reductase in oxidized and partially reduced states J.Mol.Biol., 408, 2011
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2V3V
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![BU of 2v3v by Molmil](/molmil-images/mine/2v3v) | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-22 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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2V45
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![BU of 2v45 by Molmil](/molmil-images/mine/2v45) | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-27 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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2XB4
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![BU of 2xb4 by Molmil](/molmil-images/mine/2xb4) | Crystal structures of zinc containing Adenylate kinase from Desulfovibrio gigas | Descriptor: | ADENYLATE KINASE, S,R MESO-TARTARIC ACID, ZINC ION | Authors: | Mukhopadhyay, A, Kladova, A.V, Gavel, O.Y, Calvete, J.J, Shnyrov, V.L, Moura, I, Moura, J.J.G, Bursakov, S.A, Romao, M.J, Trincao, J. | Deposit date: | 2010-04-05 | Release date: | 2010-09-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the Zinc-, Cobalt-, and Iron-Containing Adenylate Kinase from Desulfovibrio Gigas: A Novel Metal-Containing Adenylate Kinase from Gram-Negative Bacteria. J.Biol.Inorg.Chem., 16, 2011
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8B2T
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![BU of 8b2t by Molmil](/molmil-images/mine/8b2t) | SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne | Descriptor: | 3C-like proteinase nsp5, Nirmatrelvir (reacted form) | Authors: | Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A. | Deposit date: | 2022-09-14 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine. J.Med.Chem., 66, 2023
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2JIP
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![BU of 2jip by Molmil](/molmil-images/mine/2jip) | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-28 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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2JIR
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![BU of 2jir by Molmil](/molmil-images/mine/2jir) | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CYANIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-28 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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2JIO
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![BU of 2jio by Molmil](/molmil-images/mine/2jio) | A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-28 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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