6C3K
 
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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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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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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
 | | 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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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: | 2023-08-30 | | 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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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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2PU5
 | | Crystal Structure of a C-C bond hydrolase, BphD, from Burkholderia xenovorans LB400 | | Descriptor: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION | | Authors: | Bhowmik, S, Bolin, J.T. | | Deposit date: | 2007-05-08 | | Release date: | 2007-05-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase: KINETIC AND STRUCTURAL EVIDENCE SUPPORTING A KEY ROLE FOR HISTIDINE 265 OF THE CATALYTIC TRIAD.
J.Biol.Chem., 282, 2007
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2PUH
 | | Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with 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: | Bhowmik, S, Bolin, J.T. | | Deposit date: | 2007-05-09 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase: KINETIC AND STRUCTURAL EVIDENCE SUPPORTING A KEY ROLE FOR HISTIDINE 265 OF THE CATALYTIC TRIAD.
J.Biol.Chem., 282, 2007
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2PU7
 | | Crystal Structure of S112A/H265A double mutant of a C-C hydrolase, BphD, from Burkholderia xenovorans LB400 | | Descriptor: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, SODIUM ION | | Authors: | Bhowmik, S, Bolin, J.T. | | Deposit date: | 2007-05-08 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase: KINETIC AND STRUCTURAL EVIDENCE SUPPORTING A KEY ROLE FOR HISTIDINE 265 OF THE CATALYTIC TRIAD.
J.Biol.Chem., 282, 2007
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2PUJ
 | | Crystal Structure of the S112A/H265A double mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with its substrate HOPDA | | Descriptor: | (2E,4E)-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: | 2007-05-09 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase: KINETIC AND STRUCTURAL EVIDENCE SUPPORTING A KEY ROLE FOR HISTIDINE 265 OF THE CATALYTIC TRIAD.
J.Biol.Chem., 282, 2007
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2RI6
 | | Crystal Structure of S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400 | | Descriptor: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, SODIUM ION | | Authors: | Bhowmik, S, Bolin, J.T. | | Deposit date: | 2007-10-10 | | Release date: | 2007-11-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The tautomeric half-reaction of BphD, a C-C bond hydrolase. Kinetic and structural evidence supporting a key role for histidine 265 of the catalytic triad.
J.Biol.Chem., 282, 2007
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1BYL
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5TW4
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5TY7
 | | Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) in complex with nafcillin | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 4, SODIUM ION, ... | | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | | Deposit date: | 2016-11-18 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.894 Å) | | Cite: | Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
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5TX9
 | | Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with ceftobiprole | | Descriptor: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein 4, SODIUM ION, ... | | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | | Deposit date: | 2016-11-16 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
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5TW8
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5TY2
 | | Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with nafcillin | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Penicillin-binding protein 4, ... | | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | | Deposit date: | 2016-11-18 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
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5TXI
 | | Crystal structure of wild-type S. aureus penicillin binding protein 4 (PBP4) in complex with ceftobiprole | | Descriptor: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Alexander, J.A.N, Strynadka, N.C.J. | | Deposit date: | 2016-11-16 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
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5VMM
 | | Staphylococcus aureus IsdB bound to human hemoglobin | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated cell wall-anchored protein, ... | | Authors: | Bowden, C.F, Chan, A.C, Murphy, M.E. | | Deposit date: | 2017-04-27 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure-function analyses reveal key features in Staphylococcus aureus IsdB-associated unfolding of the heme-binding pocket of human hemoglobin.
J. Biol. Chem., 293, 2018
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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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3V1L
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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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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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