7BEX
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2WGQ
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7BEW
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6QPJ
| Human CLOCK PAS-A domain | Descriptor: | Circadian locomoter output cycles protein kaput | Authors: | Kwon, H, Freeman, S.L, Moody, P.C.E, Raven, E.L, Basran, J. | Deposit date: | 2019-02-14 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.315 Å) | Cite: | Heme binding to human CLOCK affects interactions with the E-box. Proc.Natl.Acad.Sci.USA, 116, 2019
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7ZDQ
| Cryo-EM structure of Human ACE2 bound to a high-affinity SARS CoV-2 mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1 | Authors: | Bate, N, Savva, C.G, Moody, P.C.E, Brown, E.A, Schwabe, W.R, Brindle, N.P.J, Ball, J.K, Sale, J.E. | Deposit date: | 2022-03-29 | Release date: | 2022-05-18 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | In vitro evolution predicts emerging SARS-CoV-2 mutations with high affinity for ACE2 and cross-species binding. Plos Pathog., 18, 2022
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1QNT
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1VYS
| STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE W102Y MUTANT AND COMPLEXED WITH PICRIC ACID | Descriptor: | FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID | Authors: | Barna, T, Moody, P.C.E. | Deposit date: | 2004-05-05 | Release date: | 2004-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Atomic Resolution Structures and Solution Behavior of Enzyme-Substrate Complexes of Enterobacter Cloacae Pb2 Pentaerythritol Tetranitrate Reductase: Multiple Conformational States and Implications for the Mechanism of Nitroaromatic Explosive Degradation J.Biol.Chem., 279, 2004
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1VYP
| Structure of pentaerythritol tetranitrate reductase W102F mutant and complexed with picric acid | Descriptor: | FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID | Authors: | Barna, T, Moody, P.C.E. | Deposit date: | 2004-05-04 | Release date: | 2004-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Atomic Resolution Structures and Solution Behavior of Enzyme-Substrate Complexes of Enterobacter Cloacae Pb2 Pentaerythritol Tetranitrate Reductase: Multiple Conformational States and Implications for the Mechanism of Nitroaromatic Explosive Degradation J.Biol.Chem., 279, 2004
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1VYR
| Structure of pentaerythritol tetranitrate reductase complexed with picric acid | Descriptor: | FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID | Authors: | Barna, T, Moody, P.C.E. | Deposit date: | 2004-05-05 | Release date: | 2004-06-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Atomic Resolution Structures and Solution Behavior of Enzyme-Substrate Complexes of Enterobacter Cloacae Pb2 Pentaerythritol Tetranitrate Reductase: Multiple Conformational States and Implications for the Mechanism of Nitroaromatic Explosive Degradation J.Biol.Chem., 279, 2004
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3R99
| Joint Neutron and X-ray structure of Cytochrome c peroxidase | Descriptor: | Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Blakeley, M.P, Fisher, S.J, Gumiero, A, Moody, P.C.E, Raven, E.L. | Deposit date: | 2011-03-25 | Release date: | 2012-04-04 | Last modified: | 2024-03-20 | Method: | NEUTRON DIFFRACTION (2.4 Å), X-RAY DIFFRACTION | Cite: | Hydrogen bonds in heme peroxidases: a combined X-ray and neutron study of cytochrome c peroxidase To be Published
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3R98
| Joint Neutron and X-ray structure of Cytochrome c peroxidase | Descriptor: | Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Blakeley, M.P, Fisher, S.J, Gumiero, A, Moody, P.C.E, Raven, E.L. | Deposit date: | 2011-03-25 | Release date: | 2012-04-04 | Last modified: | 2024-03-20 | Method: | NEUTRON DIFFRACTION (2.4 Å), X-RAY DIFFRACTION | Cite: | Hydrogen bonds in heme peroxidases: a combined X-ray and neutron study of cytochrome c peroxidase To be Published
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7P46
| Crystal Structure of Xanthomonas campestris Tryptophan 2,3-dioxygenase (TDO) | Descriptor: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CYANIDE ION, GLYCEROL, ... | Authors: | Kwon, H, Basran, J, Booth, E.S, Campbell, L.P, Thackray, S.J, Moody, P.C.E, Mowat, C.G, Raven, E.L. | Deposit date: | 2021-07-09 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Binding of l-kynurenine to X. campestris tryptophan 2,3-dioxygenase. J.Inorg.Biochem., 225, 2021
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6XV4
| Neutron structure of ferric ascorbate peroxidase-ascorbate complex | Descriptor: | ASCORBIC ACID, Ascorbate peroxidase, POTASSIUM ION, ... | Authors: | Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | Deposit date: | 2020-01-21 | Release date: | 2020-03-18 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | Visualizing the protons in a metalloenzyme electron proton transfer pathway. Proc.Natl.Acad.Sci.USA, 117, 2020
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6TAE
| Neutron structure of ferric ascorbate peroxidase | Descriptor: | Ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | Deposit date: | 2019-10-29 | Release date: | 2020-03-18 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | Visualizing the protons in a metalloenzyme electron proton transfer pathway. Proc.Natl.Acad.Sci.USA, 117, 2020
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6F1D
| CUB2 domain of C1r | Descriptor: | CALCIUM ION, Complement C1r subcomponent, SODIUM ION | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | Deposit date: | 2017-11-21 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6F1H
| C1rC1s complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-galactopyranose-(1-4)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | Deposit date: | 2017-11-22 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6F1C
| C1rC1s complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ... | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | Deposit date: | 2017-11-21 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6F39
| C1r homodimer CUB1-EGF-CUB2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ... | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | Deposit date: | 2017-11-28 | Release date: | 2018-01-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (5.801 Å) | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7BI1
| XFEL crystal structure of soybean ascorbate peroxidase compound II | Descriptor: | Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2021-01-12 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | XFEL Crystal Structures of Peroxidase Compound II. Angew.Chem.Int.Ed.Engl., 60, 2021
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7BIU
| XFEL crystal structure of cytochrome c peroxidase compound II | Descriptor: | Cytochrome c peroxidase, mitochondrial, HEME C | Authors: | Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2021-01-13 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | XFEL Crystal Structures of Peroxidase Compound II. Angew.Chem.Int.Ed.Engl., 60, 2021
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1SFE
| ADA O6-METHYLGUANINE-DNA METHYLTRANSFERASE FROM ESCHERICHIA COLI | Descriptor: | ADA O6-METHYLGUANINE-DNA METHYLTRANSFERASE | Authors: | Moore, M.H, Gulbis, J.M, Dodson, E.J, Demple, B, Moody, P.C.E. | Deposit date: | 1996-06-21 | Release date: | 1996-12-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a suicidal DNA repair protein: the Ada O6-methylguanine-DNA methyltransferase from E. coli. EMBO J., 13, 1994
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5AOG
| Structure of Sorghum peroxidase | Descriptor: | 1H-INDOL-3-YLACETIC ACID, CALCIUM ION, CATIONIC PEROXIDASE SPC4, ... | Authors: | Kwon, H, Nnamchi, C.I, Parkin, G, Efimov, I, Agirre, J, Basran, J, Raven, E.L, Moody, P.C.E. | Deposit date: | 2015-09-10 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Structural and Spectroscopic Characterisation of a Heme Peroxidase from Sorghum. J.Biol.Inorg.Chem., 21, 2016
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2Y6A
| Ascorbate Peroxidase R38A mutant | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Metcalfe, C.L, Efimov, I, Gumiero, A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2011-01-20 | Release date: | 2011-10-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Proton Delivery to Ferryl Heme in a Heme Peroxidase: Enzymatic Use of the Grotthuss Mechanism. J.Am.Chem.Soc., 133, 2011
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2YCG
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1V0H
| ASCOBATE PEROXIDASE FROM SOYBEAN CYTOSOL IN COMPLEX WITH SALICYLHYDROXAMIC ACID | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SALICYLHYDROXAMIC ACID, ... | Authors: | Sharp, K.H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2004-03-29 | Release date: | 2004-06-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal Structure of the Ascorbate Peroxidase-Salicylhydroxamic Acid Complex Biochemistry, 43, 2004
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