4JHT
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![BU of 4jht by Molmil](/molmil-images/mine/4jht) | Crystal Structure of AlkB in complex with 5-carboxy-8-hydroxyquinoline (IOX1) | Descriptor: | 8-hydroxyquinoline-5-carboxylic acid, ACETATE ION, Alpha-ketoglutarate-dependent dioxygenase AlkB, ... | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2013-03-05 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | 5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation. Chem Sci, 4, 2013
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7NRO
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![BU of 7nro by Molmil](/molmil-images/mine/7nro) | Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium | Descriptor: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | Authors: | Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2021-03-04 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors. J.Med.Chem., 64, 2021
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4ZHN
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![BU of 4zhn by Molmil](/molmil-images/mine/4zhn) | Crystal Structure of AlkB T208A mutant protein in complex with Co(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, COBALT (II) ION, ... | Authors: | Ergel, B, Yu, B, Vorobiev, S.M, Forouhar, F, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-04-25 | Release date: | 2015-12-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.333 Å) | Cite: | DFT Studies of the Rate-Limiting Step in the Reaction Cycle of the Fe/2OG Dioxygenase AlkB and Related Experimental Studies To be published
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4NIH
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![BU of 4nih by Molmil](/molmil-images/mine/4nih) | |
3I3Q
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![BU of 3i3q by Molmil](/molmil-images/mine/3i3q) | Crystal Structure of AlkB in complex with Mn(II) and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB, MANGANESE (II) ION | Authors: | Yu, B, Hunt, J.F. | Deposit date: | 2009-06-30 | Release date: | 2009-08-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enzymological and structural studies of the mechanism of promiscuous substrate recognition by the oxidative DNA repair enzyme AlkB. Proc.Natl.Acad.Sci.USA, 106, 2009
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3O1T
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![BU of 3o1t by Molmil](/molmil-images/mine/3o1t) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDU)P*AP*CP*CP*GP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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3I3M
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![BU of 3i3m by Molmil](/molmil-images/mine/3i3m) | |
4RFR
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![BU of 4rfr by Molmil](/molmil-images/mine/4rfr) | Complex structure of AlkB/rhein | Descriptor: | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | Authors: | Li, Q, Huang, Y, Li, J.F, Yang, C.-G. | Deposit date: | 2014-09-27 | Release date: | 2016-04-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rhein Inhibits AlkB Repair Enzymes and Sensitizes Cells to Methylated DNA Damage. J.Biol.Chem., 291, 2016
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3O1P
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![BU of 3o1p by Molmil](/molmil-images/mine/3o1p) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-21 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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4NIG
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![BU of 4nig by Molmil](/molmil-images/mine/4nig) | |
3O1U
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![BU of 3o1u by Molmil](/molmil-images/mine/3o1u) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDV)P*AP*CP*CP*GP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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3O1S
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![BU of 3o1s by Molmil](/molmil-images/mine/3o1s) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDQ)P*AP*CP*CP*GP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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4NID
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![BU of 4nid by Molmil](/molmil-images/mine/4nid) | Crystal structure of AlkB protein with cofactors bound to dsDNA containing m6A | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3', 5'-D(*TP*AP*GP*GP*TP*AP*AP*(6MA)P*AP*CP*CP*GP*T)-3', ... | Authors: | Zhu, C.X, Yi, C.Q. | Deposit date: | 2013-11-06 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Switching Demethylation Activities between AlkB Family RNA/DNA Demethylases through Exchange of Active-Site Residues. Angew.Chem.Int.Ed.Engl., 53, 2014
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3I49
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![BU of 3i49 by Molmil](/molmil-images/mine/3i49) | |
4NII
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![BU of 4nii by Molmil](/molmil-images/mine/4nii) | |
3T4H
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![BU of 3t4h by Molmil](/molmil-images/mine/3t4h) | Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ... | Authors: | Ma, J, Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2011-07-26 | Release date: | 2012-03-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase. J.Med.Chem., 55, 2012
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3BKZ
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![BU of 3bkz by Molmil](/molmil-images/mine/3bkz) | X-ray structure of E coli AlkB crosslinked to dsDNA in the active site | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB, DNA (5'-D(*DAP*DAP*DCP*DGP*DAP*DTP*DAP*DTP*DTP*DAP*DCP*DCP*DT)-3'), ... | Authors: | Yi, C, Yang, C.-G, He, C. | Deposit date: | 2007-12-09 | Release date: | 2008-04-22 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of DNA/RNA repair enzymes AlkB and ABH2 bound to dsDNA Nature, 452, 2008
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3BIE
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![BU of 3bie by Molmil](/molmil-images/mine/3bie) | |
3I2O
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![BU of 3i2o by Molmil](/molmil-images/mine/3i2o) | |
3T4V
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![BU of 3t4v by Molmil](/molmil-images/mine/3t4v) | Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, GLYCEROL, ... | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2011-07-26 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.732 Å) | Cite: | Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase. J.Med.Chem., 55, 2012
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3O1M
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![BU of 3o1m by Molmil](/molmil-images/mine/3o1m) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-21 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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6Y0Q
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![BU of 6y0q by Molmil](/molmil-images/mine/6y0q) | Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe, AKG and methylated DNA under anaerobic environment using FT-SSX methods | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ... | Authors: | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | Deposit date: | 2020-02-10 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Anaerobic fixed-target serial crystallography. Iucrj, 7, 2020
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3O1R
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![BU of 3o1r by Molmil](/molmil-images/mine/3o1r) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-21 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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2FDI
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![BU of 2fdi by Molmil](/molmil-images/mine/2fdi) | Crystal Structure of AlkB in complex with Fe(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T (air 3 hours) | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(P*TP*(MA7)P*T)-3', Alkylated DNA repair protein alkB, ... | Authors: | Yu, B, Benach, J, Edstrom, W.C, Gibney, B.R, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-12-14 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB. Nature, 439, 2006
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3O1V
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![BU of 3o1v by Molmil](/molmil-images/mine/3o1v) | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDJ)P*AP*CP*CP*GP*T)-3'), ... | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | Deposit date: | 2010-07-22 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase. Nature, 468, 2010
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