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6QKW
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BU of 6qkw by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ...
Authors:Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F.
Deposit date:2019-01-30
Release date:2019-06-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.512 Å)
Cite:Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
6QKT
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BU of 6qkt by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 24hr - Glycolate bound
Descriptor: Fluoroacetate dehalogenase, GLYCOLIC ACID
Authors:Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F.
Deposit date:2019-01-30
Release date:2019-06-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.512 Å)
Cite:Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
6ZCC
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BU of 6zcc by Molmil
X-ray structure of the Haloalkane dehalogenase HOB (HaloTag7-based Oligonucleotide Binder) labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate
Descriptor: ACETATE ION, CALCIUM ION, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2020-06-10
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Biochemistry, 60, 2021
6COF
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BU of 6cof by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I
Descriptor: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:AtHNL enantioselectivity mutants
To be published
2YXP
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BU of 2yxp by Molmil
The Effect of Deuteration on Protein Structure A High Resolution Comparison of Hydrogenous and Perdeuterated Haloalkane Dehalogenase
Descriptor: Haloalkane dehalogenase
Authors:Liu, X, Hanson, L, Langan, P, Viola, R.E.
Deposit date:2007-04-27
Release date:2007-09-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The effect of deuteration on protein structure: a high-resolution comparison of hydrogenous and perdeuterated haloalkane dehalogenase.
Acta Crystallogr.,Sect.D, 63, 2007
5K3F
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BU of 5k3f by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Single Protomer Reacted with Ligand
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
1YB6
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BU of 1yb6 by Molmil
Hydroxynitrile lyase from hevea brasiliensis in complex with mandelonitrile
Descriptor: (S)-MANDELIC ACID NITRILE, (S)-acetone-cyanohydrin lyase, SULFATE ION
Authors:Gruber, K, Gartler, G, Kratky, C.
Deposit date:2004-12-20
Release date:2005-12-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural determinants of the enantioselectivity of the hydroxynitrile lyase from Hevea brasiliensis
J.Biotechnol., 129, 2007
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
5K3E
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BU of 5k3e by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Glycolate - Cocrystallized
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
5SWN
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BU of 5swn by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate - Cocrystallized
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase, fluoroacetic acid
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-08-08
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
5K3C
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BU of 5k3c by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/5-Fluorotryptophan
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
4BAU
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BU of 4bau by Molmil
Structure of a putative epoxide hydrolase t131d mutant from Pseudomonas aeruginosa, with bound MFA
Descriptor: CHLORIDE ION, PROBABLE EPOXIDE HYDROLASE, SULFATE ION, ...
Authors:Schmidberger, J.W, Schnell, R, Schneider, G.
Deposit date:2012-09-16
Release date:2013-10-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of a Putative Epoxide Hydrolase T131D Mutant from Pseudomonas Aeruginosa, with Bound Mfa
To be Published
6IOG
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BU of 6iog by Molmil
Crystal structure of Homoserine O-acetyltransferase from Mycobacterium smegmatis ATCC 19420
Descriptor: GLYCEROL, Homoserine O-acetyltransferase
Authors:Sagong, H.-Y, Kim, K.-J.
Deposit date:2018-10-30
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure and biochemical characterization of O-acetylhomoserine acetyltransferase from Mycobacterium smegmatis ATCC 19420.
Biochem.Biophys.Res.Commun., 517, 2019
6SP8
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BU of 6sp8 by Molmil
Structure of hyperstable haloalkane dehalogenase variant DhaA115 prepared by the 'soak-and-freeze' method under 150 bar of krypton pressure
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Chmelova, K, Markova, K, Damborsky, J, Marek, M.
Deposit date:2019-08-31
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst.
Chem Sci, 11, 2020
2PKY
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BU of 2pky by Molmil
The Effect of Deuteration on Protein Structure A High Resolution Comparison of Hydrogenous and Perdeuterated Haloalkane Dehalogenase
Descriptor: Haloalkane dehalogenase
Authors:Liu, X, Hanson, L, Langan, P, Viola, R.E.
Deposit date:2007-04-18
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The effect of deuteration on protein structure: a high-resolution comparison of hydrogenous and perdeuterated haloalkane dehalogenase.
Acta Crystallogr.,Sect.D, 63, 2007
7NFZ
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BU of 7nfz by Molmil
Crystal structure of haloalkane dehalogenase LinB57 mutant (H272F) from Sphingobium japonicum UT26
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ...
Authors:Marek, M.
Deposit date:2021-02-08
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Crystal structure of haloalkane dehalogenase LinB57 mutant (H272F) from Sphingobium japonicum UT26
To Be Published
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
2PUJ
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BU of 2puj by Molmil
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
1IZ7
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BU of 1iz7 by Molmil
Re-refinement of the structure of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 AT 1.6 A resolution
Descriptor: CALCIUM ION, CHLORIDE ION, HALOALKANE DEHALOGENASE, ...
Authors:Streltsov, V.A.
Deposit date:2002-09-30
Release date:2002-10-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
4WDQ
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BU of 4wdq by Molmil
Crystal structure of haloalkane dehalogenase LinB32 mutant (L177W) from Sphingobium japonicum UT26
Descriptor: CHLORIDE ION, Haloalkane dehalogenase, MAGNESIUM ION
Authors:Degtjarik, O, Rezacova, P, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I.
Deposit date:2014-09-09
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26
Acs Catalysis, 2016
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
6T70
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BU of 6t70 by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2 derivative
Descriptor: BotH, Bottromycin A2 derivative, CHLORIDE ION, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2019-10-20
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
1CV2
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BU of 1cv2 by Molmil
Hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 AT 1.6 A resolution
Descriptor: HALOALKANE DEHALOGENASE
Authors:Marek, J, Vevodova, J, Damborsky, J, Smatanova, I, Svensson, L.A, Newman, J, Nagata, Y, Takagi, M.
Deposit date:1999-08-22
Release date:2000-09-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of the haloalkane dehalogenase from Sphingomonas paucimobilis UT26.
Biochemistry, 39, 2000
5K3B
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BU of 5k3b by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate - Cocrystallized
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase, chloroacetic acid
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
3V1N
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BU of 3v1n by Molmil
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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