1N5U
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![BU of 1n5u by Molmil](/molmil-images/mine/1n5u) | X-RAY STUDY OF HUMAN SERUM ALBUMIN COMPLEXED WITH HEME | Descriptor: | MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SERUM ALBUMIN | Authors: | Wardell, M, Wang, Z, Ho, J.X, Robert, J, Ruker, F, Ruble, J, Carter, D.C. | Deposit date: | 2002-11-07 | Release date: | 2003-06-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Atomic Structure of Human Methemalbumin at 1.9 A Biochem.Biophys.Res.Commun., 291, 2002
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4AC1
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![BU of 4ac1 by Molmil](/molmil-images/mine/4ac1) | The structure of a fungal endo-beta-N-acetylglucosaminidase from glycosyl hydrolase family 18, at 1.3A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ENDO-N-ACETYL-BETA-D-GLUCOSAMINIDASE, ... | Authors: | Stals, I, Karkehabadi, S, Devreese, B, Kim, S, Ward, M, Sandgren, M. | Deposit date: | 2011-12-12 | Release date: | 2012-08-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High Resolution Crystal Structure of the Endo-N-Acetyl-Beta- D-Glucosaminidase Responsible for the Deglycosylation of Hypocrea Jecorina Cellulases. Plos One, 7, 2012
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2IVY
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![BU of 2ivy by Molmil](/molmil-images/mine/2ivy) | Crystal structure of hypothetical protein sso1404 from Sulfolobus solfataricus P2 | Descriptor: | HYPOTHETICAL PROTEIN SSO1404 | Authors: | Yan, X, Carter, L.G, Dorward, M, Liu, H, McMahon, S.A, Oke, M, Powers, H, White, M.F, Naismith, J.H. | Deposit date: | 2006-06-22 | Release date: | 2006-06-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2JG5
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![BU of 2jg5 by Molmil](/molmil-images/mine/2jg5) | CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOFRUCTOKINASE FROM STAPHYLOCOCCUS AUREUS | Descriptor: | FRUCTOSE 1-PHOSPHATE KINASE | Authors: | Yan, X, Carter, L.G, Johnson, K.A, Liu, H, Dorward, M, McMahon, S.A, Oke, M, Powers, H, Coote, P.J, Naismith, J.H. | Deposit date: | 2007-02-08 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2JG6
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![BU of 2jg6 by Molmil](/molmil-images/mine/2jg6) | CRYSTAL STRUCTURE OF A 3-METHYLADENINE DNA GLYCOSYLASE I FROM STAPHYLOCOCCUS AUREUS | Descriptor: | DNA-3-METHYLADENINE GLYCOSIDASE, ZINC ION | Authors: | Yan, X, Carter, L.G, Liu, H, Dorward, M, McMahon, S.A, Johnson, K.A, Oke, M, Coote, P.J, Naismith, J.H. | Deposit date: | 2007-02-08 | Release date: | 2007-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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2JG2
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![BU of 2jg2 by Molmil](/molmil-images/mine/2jg2) | HIGH RESOLUTION STRUCTURE OF SPT WITH PLP INTERNAL ALDIMINE | Descriptor: | MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE | Authors: | Yard, B.A, Carter, L.G, Johnson, K.A, Overton, I.M, Mcmahon, S.A, Dorward, M, Liu, H, Puech, D, Oke, M, Barton, G.J, Naismith, J.H, Campopiano, D.J. | Deposit date: | 2007-02-07 | Release date: | 2007-05-01 | Last modified: | 2015-11-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis. J.Mol.Biol., 370, 2007
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2JGT
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![BU of 2jgt by Molmil](/molmil-images/mine/2jgt) | Low resolution structure of SPT | Descriptor: | SERINE PALMITOYLTRANSFERASE | Authors: | Yard, B.A, Carter, L.G, Johnson, K.A, Overton, I.M, Mcmahon, S.A, Dorward, M, Liu, H, Puech, D, Oke, M, Barton, G.J, Naismith, J.H, Campopiano, D.J. | Deposit date: | 2007-02-14 | Release date: | 2007-05-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Structure of Serine Palmitoyltransferase; Gateway to Sphingolipid Biosynthesis. J.Mol.Biol., 370, 2007
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6W0L
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![BU of 6w0l by Molmil](/molmil-images/mine/6w0l) | Henipavirus W protein interacts with 14-3-3 to modulate host gene expression | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, Phosphorylated W peptide | Authors: | Edwards, M, Hoad, M, Tsimbalyuk, S, Menicucci, A, Messaoudi, I, Forwood, J, Basler, C. | Deposit date: | 2020-03-01 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Henipavirus W Proteins Interact with 14-3-3 To Modulate Host Gene Expression. J.Virol., 94, 2020
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4X3H
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![BU of 4x3h by Molmil](/molmil-images/mine/4x3h) | CRYSTAL STRUCTURE OF ARC N-LOBE COMPLEXED WITH STARGAZIN PEPTIDE | Descriptor: | Activity-regulated cytoskeleton-associated protein, VOLTAGE-DEPENDENT CALCIUM CHANNEL GAMMA-2 SUBUNIT | Authors: | zhang, W, ward, m, leahy, d, worley, p. | Deposit date: | 2014-11-30 | Release date: | 2015-06-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structural basis of arc binding to synaptic proteins: implications for cognitive disease. Neuron, 86, 2015
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4X3I
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![BU of 4x3i by Molmil](/molmil-images/mine/4x3i) | The crystal structure of Arc N-lobe complexed with CAMK2A fragment | Descriptor: | Activity-regulated cytoskeleton-associated protein, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II SUBUNIT ALPHA | Authors: | Zhang, W, Ward, M, Leahy, D, Worley, P. | Deposit date: | 2014-11-30 | Release date: | 2015-06-03 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of arc binding to synaptic proteins: implications for cognitive disease. Neuron, 86, 2015
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4X3X
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![BU of 4x3x by Molmil](/molmil-images/mine/4x3x) | The crystal structure of Arc C-lobe | Descriptor: | Activity-regulated cytoskeleton-associated protein | Authors: | Zhang, W, Ward, M, Leahy, D, Worley, P. | Deposit date: | 2014-12-01 | Release date: | 2015-06-03 | Last modified: | 2017-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of arc binding to synaptic proteins: implications for cognitive disease. Neuron, 86, 2015
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1AWH
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![BU of 1awh by Molmil](/molmil-images/mine/1awh) | NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | Descriptor: | 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID, ALPHA THROMBIN | Authors: | Jhoti, H, Cleasby, A, Wonacott, A. | Deposit date: | 1997-10-02 | Release date: | 1998-10-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies. Biochemistry, 37, 1998
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1AWF
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![BU of 1awf by Molmil](/molmil-images/mine/1awf) | NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | Descriptor: | ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER | Authors: | Jhoti, H, Cleasby, A, Wonacott, A. | Deposit date: | 1997-10-02 | Release date: | 1998-10-28 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies. Biochemistry, 37, 1998
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6KHT
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![BU of 6kht by Molmil](/molmil-images/mine/6kht) | Chimeric beta-glucosidase Cel1b-H13 | Descriptor: | Glycoside hydrolase family 1 | Authors: | Niu, K.L. | Deposit date: | 2019-07-16 | Release date: | 2021-01-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.305 Å) | Cite: | Chimeric beta-glucosidase Cel1b-H13 To Be Published
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3NPS
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![BU of 3nps by Molmil](/molmil-images/mine/3nps) | |
6PU9
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![BU of 6pu9 by Molmil](/molmil-images/mine/6pu9) | Crystal Structure of the Type B Chloramphenicol O-Acetyltransferase from Vibrio vulnificus | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase, CHLORIDE ION | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-07-17 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species. Protein Sci., 29, 2020
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6PUA
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![BU of 6pua by Molmil](/molmil-images/mine/6pua) | The 2.0 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Kim, Y, Maltseva, N, Stam, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-07-18 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species. Protein Sci., 29, 2020
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3SO3
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![BU of 3so3 by Molmil](/molmil-images/mine/3so3) | Structures of Fab-Protease Complexes Reveal a Highly Specific Non-Canonical Mechanism of Inhibition. | Descriptor: | A11 FAB heavy chain, A11 FAB light chain, GLYCEROL, ... | Authors: | Schneider, E.L, Farady, C.J, Egea, P.F, Goetz, D.H, Baharuddin, A, Craik, C.S. | Deposit date: | 2011-06-29 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A reverse binding motif that contributes to specific protease inhibition by antibodies. J.Mol.Biol., 415, 2012
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2XU2
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![BU of 2xu2 by Molmil](/molmil-images/mine/2xu2) | Crystal Structure of the hypothetical protein PA4511 from Pseudomonas aeruginosa | Descriptor: | CITRIC ACID, UPF0271 PROTEIN PA4511 | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-10-14 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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4W2R
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![BU of 4w2r by Molmil](/molmil-images/mine/4w2r) | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | Deposit date: | 2017-09-25 | Release date: | 2017-12-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J. Med. Chem., 61, 2018
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8FH4
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![BU of 8fh4 by Molmil](/molmil-images/mine/8fh4) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undec-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile | Descriptor: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | Authors: | McTigue, M, Johnson, E, Cronin, C. | Deposit date: | 2022-12-13 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.827 Å) | Cite: | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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8FKO
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![BU of 8fko by Molmil](/molmil-images/mine/8fko) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | Descriptor: | (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | McTigue, M, Johnson, E, Cronin, C. | Deposit date: | 2022-12-21 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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8FJZ
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![BU of 8fjz by Molmil](/molmil-images/mine/8fjz) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | Descriptor: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | McTigue, M, Johnson, E, Cronin, C. | Deposit date: | 2022-12-20 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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1W4Y
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![BU of 1w4y by Molmil](/molmil-images/mine/1w4y) | Ferrous horseradish peroxidase C1A in complex with carbon monoxide | Descriptor: | CALCIUM ION, CARBON MONOXIDE, HORSERADISH PEROXIDASE C1A, ... | Authors: | Carlsson, G.H, Nicholls, P, Svistunenko, D, Berglund, G.I, Hajdu, J. | Deposit date: | 2004-08-03 | Release date: | 2005-01-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide Biochemistry, 44, 2005
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1W4W
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![BU of 1w4w by Molmil](/molmil-images/mine/1w4w) | Ferric horseradish peroxidase C1A in complex with formate | Descriptor: | CALCIUM ION, FORMIC ACID, HORSERADISH PEROXIDASE C1A, ... | Authors: | Carlsson, G.H, Nicholls, P, Svistunenko, D, Berglund, G.I, Hajdu, J. | Deposit date: | 2004-08-03 | Release date: | 2005-01-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide Biochemistry, 44, 2005
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