3VB0
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![BU of 3vb0 by Molmil](/molmil-images/mine/3vb0) | Crystal structure of 2,2',3-trihydroxybiphenyl 1,2-dioxygenase from dibenzofuran-degrading Sphingomonas wittichii strain RW1 | Descriptor: | FE (II) ION, Glyoxalase/bleomycin resistance protein/dioxygenase, HEXAETHYLENE GLYCOL, ... | Authors: | Koksal, M, Kumar, P, Bolin, J.T. | Deposit date: | 2011-12-30 | Release date: | 2013-04-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a dibenzofuran-degrading dioxygenase: an unusual spatially heterogeneous crystal with a hypersymmetric intensity distribution To be Published
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3V1M
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![BU of 3v1m by Molmil](/molmil-images/mine/3v1m) | Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, after exposure to its substrate HOPDA | Descriptor: | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION | Authors: | Ghosh, S, Bolin, J.T. | Deposit date: | 2011-12-09 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad. J.Am.Chem.Soc., 134, 2012
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3V1N
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![BU of 3v1n by Molmil](/molmil-images/mine/3v1n) | Crystal Structure of the H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, after exposure to its substrate HOPDA | Descriptor: | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, BENZOIC ACID, ... | Authors: | Ghosh, S, Bolin, J.T. | Deposit date: | 2011-12-09 | Release date: | 2012-03-21 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad. J.Am.Chem.Soc., 134, 2012
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3V1K
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2Z3C
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![BU of 2z3c by Molmil](/molmil-images/mine/2z3c) | |
2Z3D
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![BU of 2z3d by Molmil](/molmil-images/mine/2z3d) | |
2Z3E
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![BU of 2z3e by Molmil](/molmil-images/mine/2z3e) | |
2XSH
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![BU of 2xsh by Molmil](/molmil-images/mine/2xsh) | CRYSTAL STRUCTURE OF P4 VARIANT OF BIPHENYL DIOXYGENASE FROM BURKHOLDERIA XENOVORANS LB400 IN COMPLEX WITH 2,6 DI CHLOROBIPHENYL | Descriptor: | 2,6-DICHLOROBIPHENYL, BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, ... | Authors: | Kumar, P, Bolin, J.T. | Deposit date: | 2010-09-29 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural Insight Into the Expanded Pcb-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution. J.Mol.Biol., 405, 2011
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2XSO
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2XR8
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2XRX
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4LXI
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![BU of 4lxi by Molmil](/molmil-images/mine/4lxi) | Crystal Structure of the S105A mutant of a carbon-carbon bond hydrolase, DxnB2 from Sphingomonas wittichii RW1, in complex with 5,8-diF HOPDA | Descriptor: | (3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid, MCP Hydrolase, SODIUM ION | Authors: | Bhowmik, S, Bolin, J.T. | Deposit date: | 2013-07-29 | Release date: | 2013-10-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A substrate-assisted mechanism of nucleophile activation in a ser-his-asp containing C-C bond hydrolase. Biochemistry, 52, 2013
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2QPZ
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![BU of 2qpz by Molmil](/molmil-images/mine/2qpz) | Naphthalene 1,2-dioxygenase Rieske ferredoxin | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Naphthalene 1,2-dioxygenase system ferredoxin subunit | Authors: | Brown, E.N, Ramaswamy, S, Karlsson, A, Friemann, R, Parales, J.V, Parales, R, Gibson, D.T. | Deposit date: | 2007-07-25 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Determining Rieske cluster reduction potentials. J.Biol.Inorg.Chem., 13, 2008
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2PPA
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2PP9
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![BU of 2pp9 by Molmil](/molmil-images/mine/2pp9) | Nitrate bound wild type oxidized AfNiR | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, COPPER (I) ION, ... | Authors: | Murphy, M.E.P, Tocheva, E.I. | Deposit date: | 2007-04-28 | Release date: | 2008-04-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conserved active site residues limit inhibition of a copper-containing nitrite reductase by small molecules. Biochemistry, 47, 2008
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2RHW
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![BU of 2rhw by Molmil](/molmil-images/mine/2rhw) | Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with 3,10-Di-Fluoro HOPDA | Descriptor: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid, MALONATE ION, ... | Authors: | Bhowmik, S, Bolin, J.T. | Deposit date: | 2007-10-09 | Release date: | 2007-11-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The Molecular Basis for Inhibition of BphD, a C-C Bond Hydrolase Involved in Polychlorinated Biphenyls Degradation: LARGE 3-SUBSTITUENTS PREVENT TAUTOMERIZATION. J.Biol.Chem., 282, 2007
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2RHT
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![BU of 2rht by Molmil](/molmil-images/mine/2rht) | Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with 3-Cl HOPDA | Descriptor: | (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, ... | Authors: | Bhowmik, S, Bolin, J.T. | Deposit date: | 2007-10-09 | Release date: | 2007-11-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Molecular Basis for Inhibition of BphD, a C-C Bond Hydrolase Involved in Polychlorinated Biphenyls Degradation: LARGE 3-SUBSTITUENTS PREVENT TAUTOMERIZATION. J.Biol.Chem., 282, 2007
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2PP7
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2DSA
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![BU of 2dsa by Molmil](/molmil-images/mine/2dsa) | Ternary complex of BphK, a bacterial GST | Descriptor: | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID, GLUTATHIONE, Glutathione S-transferase | Authors: | Tocheva, E.I, Murphy, M.E.P. | Deposit date: | 2006-06-24 | Release date: | 2006-08-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of ternary complexes of BphK, a bacterial glutathione S-transferase that reductively dechlorinates polychlorinated biphenyl metabolites J.Biol.Chem., 281, 2006
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2EI0
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![BU of 2ei0 by Molmil](/molmil-images/mine/2ei0) | Anaerobic Crystal Structure Analysis of 1,2-dihydroxynaphthalene dioxygenase from Pseudomonas sp. strain C18 complexed with 3,4-dihydroxybiphenyl | Descriptor: | 1,1'-BIPHENYL-3,4-DIOL, 1,2-dihydroxynaphthalene dioxygenase, FE (II) ION, ... | Authors: | Neau, D.B, Kelker, M.S, Colbert, C.L, Bolin, J.T. | Deposit date: | 2007-03-10 | Release date: | 2008-02-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural explanation for success and failure in the enzymatic ring-cleavage of 3,4 dihydroxybiphenyl and related PCB metabolites To be Published
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2E86
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2EI2
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![BU of 2ei2 by Molmil](/molmil-images/mine/2ei2) | Crystal Structure Analysis of the 1,2-dihydroxynaphthalene dioxygenase from Pseudomonas sp. stain C18 | Descriptor: | 1,2-dihydroxynaphthalene dioxygenase, FE (II) ION, GLYCEROL, ... | Authors: | Neau, D.B, Kelker, M.S, Colbert, C.L, Bolin, J.T. | Deposit date: | 2007-03-10 | Release date: | 2008-02-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural explanation for success and failure in the enzymatic ring-cleavage of 3,4 dihydroxybiphenyl and related PCB metabolites To be Published
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2EI1
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![BU of 2ei1 by Molmil](/molmil-images/mine/2ei1) | Anaerobic Crystal Structure Analysis of the 1,2-dihydroxynaphthalene dioxygeanse of Pseudomonas sp. strain C18 complexes to 1,2-dihydroxynaphthalene | Descriptor: | 1,2-dihydroxynaphthalene dioxygenase, FE (II) ION, GLYCEROL, ... | Authors: | Neau, D.B, Kelker, M.S, Colbert, C.L, Bolin, J.T. | Deposit date: | 2007-03-10 | Release date: | 2008-02-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural explanation for success and failure in the enzymatic ring-cleavage of 3,4 dihydroxybiphenyl and related PCB metabolites. To be Published
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2GTB
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![BU of 2gtb by Molmil](/molmil-images/mine/2gtb) | Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) inhibited by an aza-peptide epoxide in the space group P43212 | Descriptor: | (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 3C-like proteinase, ACETIC ACID | Authors: | Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C. | Deposit date: | 2006-04-27 | Release date: | 2006-12-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase. J.Mol.Biol., 366, 2007
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2H6M
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![BU of 2h6m by Molmil](/molmil-images/mine/2h6m) | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | Descriptor: | N-ACETYL-LEUCYL-ALANYL-ALANYL-(N,N-DIMETHYL)-GLUTAMINE-(1,4-DIOXO-3,4-DIHYDRO-1H-PHTHALAZIN-2-YL)METHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Picornain 3C | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | Deposit date: | 2006-05-31 | Release date: | 2006-08-08 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors. J.Mol.Biol., 361, 2006
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