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: | 2024-11-20 | | 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
 | | 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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2H9H
 | | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | | Descriptor: | Hepatitis A virus protease 3C, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Three residue peptide | | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | | Deposit date: | 2006-06-09 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.39 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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2HAL
 | | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | | Descriptor: | Hepatitis A Protease 3C, N-ACETYL-LEUCYL-PHENYLALANYL-PHENYLALANYL-GLUTAMATE-FLUOROMETHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE | | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | | Deposit date: | 2006-06-13 | | Release date: | 2006-08-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.35 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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2OG1
 | | Crystal Structure of BphD, a C-C hydrolase from Burkholderia xenovorans LB400 | | Descriptor: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, ETHANOL, GLYCEROL, ... | | Authors: | Dai, S, Ke, J, Bolin, J.T. | | Deposit date: | 2007-01-04 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Kinetic and structural insight into the mechanism of BphD, a C-C bond hydrolase from the biphenyl degradation pathway
Biochemistry, 45, 2006
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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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2PP7
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6C3B
 | | O2-, PLP-Dependent L-Arginine Hydroxylase RohP Holoenzyme | | Descriptor: | 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, Uncharacterized protein | | Authors: | Hedges, J.B, Ryan, K.S. | | Deposit date: | 2018-01-09 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase.
ACS Chem. Biol., 13, 2018
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6C39
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6C3D
 | | O2-, PLP-dependent L-arginine hydroxylase RohP quinonoid II complex | | Descriptor: | (2E,3E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pent-3-enoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hedges, J.B, Ryan, K.S. | | Deposit date: | 2018-01-09 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase.
ACS Chem. Biol., 13, 2018
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6C3K
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6C3C
 | | PLP-dependent L-arginine hydroxylase RohP quinonoid I complex | | Descriptor: | (2E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pentanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hedges, J.B, Ryan, K.S. | | Deposit date: | 2018-01-09 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase.
ACS Chem. Biol., 13, 2018
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6C3A
 | | O2-, PLP-dependent L-arginine hydroxylase RohP 4-hydroxy-2-ketoarginine complex | | Descriptor: | (4S)-5-carbamimidamido-4-hydroxy-2-oxopentanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hedges, J.B, Ryan, K.S. | | Deposit date: | 2018-01-09 | | Release date: | 2018-03-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase.
ACS Chem. Biol., 13, 2018
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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
 | | 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
 | | 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
 | | 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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2EI3
 | | Anaerobic Crystal Structure Analysis of the 1,2-dihydroxynaphthalene dioxygenase from Pseudomonas sp. strain C18 complexes with 2,3-dihydroxybiphenyl | | Descriptor: | 1,2-dihydroxynaphthalene dioxygenase, BIPHENYL-2,3-DIOL, 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 (1.9 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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2EHZ
 | | Anaerobic Crystal Structure Analysis of 1,2-dihydroxynaphthalene dioxygenase from Pseudomonas sp. strain C18 complexed with 4-methylcatechol | | Descriptor: | 1,2-ETHANEDIOL, 1,2-dihydroxynaphthalene dioxygenase, 4-METHYLCATECHOL, ... | | 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 (1.35 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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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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3V1L
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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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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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