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8SBQ
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BU of 8sbq by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, fluorophosphonate JB101 bound
Descriptor: Fluorophosphonate-binding serine hydrolases E, MAGNESIUM ION, ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate
Authors:Fellner, M.
Deposit date:2023-04-04
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, fluorophosphonate JB101 bound
To Be Published
8T87
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BU of 8t87 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, unbound dimer crystal form 1
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
8T88
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BU of 8t88 by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone JJ004 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Authors:Fellner, M.
Deposit date:2023-06-22
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections.
J.Am.Chem.Soc., 146, 2024
8SW8
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BU of 8sw8 by Molmil
Crystal Structure of HaloTag7 bound to JF669-HaloTag ligand
Descriptor: 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium, CHLORIDE ION, Haloalkane dehalogenase
Authors:Farrants, H, Schreiter, E.R.
Deposit date:2023-05-17
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A modular chemigenetic calcium indicator for multiplexed in vivo functional imaging
To Be Published
8TFW
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BU of 8tfw by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, [5-(trifluoromethyl)thiophen-2-yl]boronic acid
Authors:Fellner, M.
Deposit date:2023-07-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound N34 bound
To Be Published
8SDD
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BU of 8sdd by Molmil
Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate
Descriptor: Alpha/beta hydrolase fold protein
Authors:Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A.
Deposit date:2023-04-06
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases.
Febs J., 290, 2023
6JD9
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BU of 6jd9 by Molmil
Proteus mirabilis lipase mutant - I118V/E130G
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha/beta hydrolase, CALCIUM ION
Authors:Heater, B.S, Chan, W.S, Chan, M.K.
Deposit date:2019-01-31
Release date:2019-07-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Directed evolution of a genetically encoded immobilized lipase for the efficient production of biodiesel from waste cooking oil.
Biotechnol Biofuels, 12, 2019
2QVB
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BU of 2qvb by Molmil
Crystal Structure of Haloalkane Dehalogenase Rv2579 from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase 3
Authors:Mazumdar, P.A, Hulecki, J, Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
Deposit date:2007-08-08
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:X-ray crystal structure of Mycobacterium tuberculosis haloalkane dehalogenase Rv2579.
Biochim.Biophys.Acta, 1784, 2008
6JQZ
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BU of 6jqz by Molmil
ZHD/H242A complex with ZEN
Descriptor: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, GLYCEROL, Zearalenone hydrolase
Authors:Hu, X.J.
Deposit date:2019-04-02
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure of ZHD complex
To Be Published
3TRD
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BU of 3trd by Molmil
Structure of an alpha-beta serine hydrolase homologue from Coxiella burnetii
Descriptor: ACETATE ION, Alpha/beta hydrolase, PHOSPHATE ION, ...
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
6YL4
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BU of 6yl4 by Molmil
Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide
Descriptor: 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide, Bifunctional epoxide hydrolase 2
Authors:Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E.
Deposit date:2020-04-06
Release date:2020-10-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase.
J.Med.Chem., 63, 2020
2R11
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BU of 2r11 by Molmil
Crystal structure of putative hydrolase (2632844) from Bacillus subtilis at 1.96 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Carboxylesterase NP, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-08-21
Release date:2007-09-04
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of putative hydrolase (2632844) from Bacillus subtilis at 1.96 A resolution
To be published
6Y7A
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BU of 6y7a by Molmil
X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2020-02-28
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Biochemistry, 60, 2021
6Y7B
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BU of 6y7b by Molmil
X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-carbopyronine fluorophore substrate
Descriptor: 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid, CHLORIDE ION, Haloalkane dehalogenase
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2020-02-28
Release date:2021-03-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Biochemistry, 60, 2021
6JRC
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BU of 6jrc by Molmil
ZHD complex with hydrolyzed alpha-ZOL
Descriptor: 2-[(~{E},6~{R},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, POTASSIUM ION, ...
Authors:Hu, X.J.
Deposit date:2019-04-03
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of ZHD complex
To Be Published
6YN2
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BU of 6yn2 by Molmil
Crystal structure of Renilla reniformis luciferase variant RLuc8-W121F/E144Q in complex with a coelenteramide (the postcatalytic enzyme-product complex)
Descriptor: ACETATE ION, Coelenterazine h 2-monooxygenase, GLYCEROL, ...
Authors:Damborsky, J, Marek, M.
Deposit date:2020-04-10
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering the protein dynamics of an ancestral luciferase.
Nat Commun, 12, 2021
6JRB
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BU of 6jrb by Molmil
ZHD/W183F complex with bZOL
Descriptor: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, GLYCEROL, Zearalenone hydrolase
Authors:Hu, X.J.
Deposit date:2019-04-03
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of ZHD complex
To Be Published
6JR2
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BU of 6jr2 by Molmil
ZHD/H242A complex with aZOL
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, GLYCEROL, POTASSIUM ION, ...
Authors:Hu, X.J.
Deposit date:2019-04-02
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of ZHD complex
To Be Published
6JRD
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BU of 6jrd by Molmil
ZHD complex with hydrolyzed beta-ZOL
Descriptor: 2-[(~{E},6~{S},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, POTASSIUM ION, ...
Authors:Hu, X.J.
Deposit date:2019-04-03
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of ZHD complex
To Be Published
6JR5
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BU of 6jr5 by Molmil
ZHD/H242A complex with bZOL
Descriptor: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, GLYCEROL, Zearalenone hydrolase
Authors:Hu, X.J.
Deposit date:2019-04-02
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure of ZHD complex
To Be Published
6JR9
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BU of 6jr9 by Molmil
ZHD/W183F complex with ZEN
Descriptor: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, GLYCEROL, POTASSIUM ION, ...
Authors:Hu, X.J.
Deposit date:2019-04-03
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure of ZHD complex
To Be Published
3V1M
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BU of 3v1m by Molmil
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
2RHW
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BU of 2rhw by Molmil
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
2RHT
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BU of 2rht by Molmil
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
3V1L
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BU of 3v1l by Molmil
Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400
Descriptor: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONIC ACID
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 (2.11 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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