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3B12
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BU of 3b12 by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase D104 mutant from Burkholderia sp. FA1 in complex with fluoroacetate
Descriptor: Fluoroacetate dehalogenase, MAGNESIUM ION, fluoroacetic acid
Authors:Omi, R, Hirotsu, K.
Deposit date:2011-06-19
Release date:2012-06-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Substrate specificity of fluoroacetate dehalogenase: an insight from crystallographic analysis, fluorescence spectroscopy, and theoretical computations
Chemistry, 18, 2012
3RKS
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BU of 3rks by Molmil
Crystal Structure of the Manihot esculenta Hydroxynitrile Lyase (MeHNL) K176P mutant
Descriptor: GLYCEROL, Hydroxynitrilase
Authors:Cielo, C.B.C, Yamane, T, Asano, Y, Dadashipour, M, Suzuki, A, Mizushima, T, Komeda, H.
Deposit date:2011-04-18
Release date:2012-06-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic Studies of Manihot esculenta hydroxynitrile lyase Lysine-to-Proline mutants
To be Published
3RK4
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BU of 3rk4 by Molmil
Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Lahoda, M, Stsiapanava, A, Mesters, J, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I.
Deposit date:2011-04-17
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31.
Acta Crystallogr.,Sect.D, 70, 2014
3R41
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BU of 3r41 by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/apo
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-17
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R3Y
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BU of 3r3y by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R3W
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BU of 3r3w by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ...
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R40
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BU of 3r40 by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/apo
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R3X
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BU of 3r3x by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Bromoacetate
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ...
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R3U
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BU of 3r3u by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/apo
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase, NICKEL (II) ION
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R3Z
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BU of 3r3z by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Glycolate
Descriptor: Fluoroacetate dehalogenase, GLYCOLIC ACID, NICKEL (II) ION
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R3V
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BU of 3r3v by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ...
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3QYJ
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BU of 3qyj by Molmil
Crystal structure of ALR0039, a putative alpha/beta hydrolase from Nostoc sp PCC 7120.
Descriptor: Alr0039 protein
Authors:Petit, P, Kagan, O, Yakunin, A.F, Savchenko, A.
Deposit date:2011-03-03
Release date:2011-03-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.778 Å)
Cite:Crystal structure of ALR0039, a putative alpha/beta hydrolase from Nostoc sp PCC 7120.
To be Published
3QVM
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BU of 3qvm by Molmil
The structure of olei00960, a hydrolase from Oleispira antarctica
Descriptor: CALCIUM ION, CHLORIDE ION, Olei00960, ...
Authors:Singer, A.U, Kagan, O, Kim, Y, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-02-25
Release date:2011-04-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
3QIT
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BU of 3qit by Molmil
Thioesterase Domain From Curacin Biosynthetic Pathway
Descriptor: Polyketide synthase
Authors:Gehret, J.J, Smith, J.L.
Deposit date:2011-01-27
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Terminal Alkene Formation by the Thioesterase of Curacin A Biosynthesis: STRUCTURE OF A DECARBOXYLATING THIOESTERASE.
J.Biol.Chem., 286, 2011
3PDC
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BU of 3pdc by Molmil
Crystal structure of hydrolase domain of human soluble epoxide hydrolase complexed with a benzoxazole inhibitor
Descriptor: Epoxide hydrolase 2, N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
Authors:Kurumbail, R.G, Williams, J.M.
Deposit date:2010-10-22
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening.
J.Med.Chem., 54, 2011
2XUA
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BU of 2xua by Molmil
Crystal structure of the enol-lactonase from Burkholderia xenovorans LB400
Descriptor: 3-OXOADIPATE ENOL-LACTONASE, LAEVULINIC ACID
Authors:Bains, J, Kaufman, L, Farnell, B, Boulanger, M.J.
Deposit date:2010-10-17
Release date:2011-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Product Analog Bound Form of 3-Oxoadipate-Enol- Lactonase (Pcad) Reveals a Multifunctional Role for the Divergent CAP Domain.
J.Mol.Biol., 406, 2011
2XT0
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BU of 2xt0 by Molmil
Dehalogenase DPpA from Plesiocystis pacifica SIR-I
Descriptor: HALOALKANE DEHALOGENASE, SULFATE ION
Authors:Bogdanovic, X, Palm, G.J, Hinrichs, W.
Deposit date:2010-10-02
Release date:2011-08-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cloning, Functional Expression, Biochemical Characterization, and Structural Analysis of a Haloalkane Dehalogenase from Plesiocystis Pacifica Sir-1.
Appl.Microbiol.Biotechnol., 91, 2011
3OTQ
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BU of 3otq by Molmil
Soluble Epoxide Hydrolase in complex with pyrazole antagonist
Descriptor: Epoxide hydrolase 2, N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide
Authors:Farrow, N.A.
Deposit date:2010-09-13
Release date:2010-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain.
Bioorg.Med.Chem.Lett., 20, 2010
3ANS
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BU of 3ans by Molmil
Human soluble epoxide hydrolase in complex with a synthetic inhibitor
Descriptor: 4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide, Epoxide hydrolase 2
Authors:Chiyo, N, Ishii, T, Hourai, S, Yanagi, K.
Deposit date:2010-09-08
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
J.Med.Chem., 54, 2011
3ANT
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BU of 3ant by Molmil
Human soluble epoxide hydrolase in complex with a synthetic inhibitor
Descriptor: 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Epoxide hydrolase 2
Authors:Chiyo, N, Ishii, T, Hourai, S, Yanagi, K.
Deposit date:2010-09-08
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
J.Med.Chem., 54, 2011
3OOS
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BU of 3oos by Molmil
The structure of an alpha/beta fold family hydrolase from Bacillus anthracis str. Sterne
Descriptor: Alpha/beta hydrolase family protein, GLYCEROL, SULFATE ION, ...
Authors:Fan, Y, Tan, K, Bigelow, L, Hamilton, J, Li, H, Zhou, Y, Clancy, S, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-08-31
Release date:2010-11-10
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The structure of an alpha/beta fold family hydrolase from Bacillus anthracis str. Sterne
To be Published
3OM8
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BU of 3om8 by Molmil
The crystal structure of a hydrolase from Pseudomonas aeruginosa PA01
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable hydrolase
Authors:Tan, K, Chhor, G, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-08-26
Release date:2010-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The crystal structure of a hydrolase from Pseudomonas aeruginosa PA01
To be Published
2XMZ
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BU of 2xmz by Molmil
Structure of MenH from S. aureus
Descriptor: HYDROLASE, ALPHA/BETA HYDROLASE FOLD FAMILY
Authors:Dawson, A, Fyfe, P.K, Gillet, F, Hunter, W.N.
Deposit date:2010-07-30
Release date:2011-05-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Exploiting the High-Resolution Crystal Structure of Staphylococcus Aureus Menh to Gain Insight Into Enzyme Activity.
Bmc Struct.Biol., 11, 2011
3NWO
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BU of 3nwo by Molmil
Crystal structure of Proline iminopeptidase Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-07-09
Release date:2010-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3AFI
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BU of 3afi by Molmil
Crystal structure of DBJA (HIS-DBJA)
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Sato, Y, Senda, T.
Deposit date:2010-03-02
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010

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