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4X00
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BU of 4x00 by Molmil
X-ray crystal structure of a putative aryl esterase from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, FLUORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-11-20
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:X-ray crystal structure of a putative aryl esterase from Burkholderia cenocepacia
to be published
4INZ
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BU of 4inz by Molmil
The crystal structure of M145A mutant of an epoxide hydrolase from Bacillus megaterium
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-01-07
Release date:2014-02-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
4IO0
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BU of 4io0 by Molmil
Crystal structure of F128A mutant of an epoxide hydrolase from Bacillus megaterium complexed with its product (R)-3-[1]naphthyloxy-propane-1,2-diol
Descriptor: (2R)-3-(naphthalen-1-yloxy)propane-1,2-diol, SULFATE ION, Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-01-07
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
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
4X6Y
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BU of 4x6y by Molmil
Human soluble epoxide hydrolase in complex with a cyclopropyl urea derivative
Descriptor: 4-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Bifunctional epoxide hydrolase 2
Authors:Chiyo, N, Takai, K, Ishii, T.
Deposit date:2014-12-09
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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
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
4Y7D
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BU of 4y7d by Molmil
Alpha/beta hydrolase fold protein from Nakamurella multipartita
Descriptor: Alpha/beta hydrolase fold protein, CHLORIDE ION, SODIUM ION
Authors:Cuff, M.E, OSIPIUK, J, Holowicki, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-02-14
Release date:2015-02-25
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Alpha/beta hydrolase fold protein from Nakamurella multipartita.
to be published
4YK7
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BU of 4yk7 by Molmil
Crystal structure of S-hydroxynitrile lyase from Manihot esculenta (His103Leu)
Descriptor: (S)-hydroxynitrile lyase
Authors:Dadashipour, M, Nakano, S, Asano, Y.
Deposit date:2015-03-04
Release date:2016-04-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of S-hydroxynitrile lyase from Manihot esculenta (His103Leu)
To Be Published
4YAS
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BU of 4yas by Molmil
HYDROXYNITRILE LYASE COMPLEXED WITH CHLORALHYDRATE
Descriptor: PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION, TRI-CHLORO-ACETALDEHYDE
Authors:Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C.
Deposit date:1999-03-15
Release date:1999-10-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
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
4Y9S
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BU of 4y9s by Molmil
structure of an H300N mutant of potato epoxide hydrolase, StEH1
Descriptor: Epoxide hydrolase
Authors:Naworyta, A, Mowbray, S.L, Widersten, M.
Deposit date:2015-02-17
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Expanding the Catalytic Triad in Epoxide Hydrolases and Related Enzymes.
ACS Catal, 5, 2015
4JNC
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BU of 4jnc by Molmil
Soluble Epoxide Hydrolase complexed with a carboxamide inhibitor
Descriptor: 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide, Bifunctional epoxide hydrolase 2
Authors:Shewchuk, L.M.
Deposit date:2013-03-15
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase.
Bioorg.Med.Chem.Lett., 23, 2013
4KAF
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BU of 4kaf by Molmil
Crystal Structure of Haloalkane dehalogenase HaloTag7 at the resolution 1.5A, Northeast Structural Genomics Consortium (NESG) Target OR151
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, ...
Authors:Kuzin, A.P, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-04-22
Release date:2013-06-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:Northeast Structural Genomics Consortium Target OR151
To be Published
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
4KAA
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BU of 4kaa by Molmil
Crystal structure of the halotag2 protein at the resolution 2.3A, Northeast Structural Genomics Consortium (NESG) target OR150
Descriptor: DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, SODIUM ION
Authors:Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Crews, C, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-04-22
Release date:2013-06-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.276 Å)
Cite:Northeast Structural Genomics Consortium Target OR150
To be Published
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
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
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
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
4K2A
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BU of 4k2a by Molmil
Crystal structure of haloalkane dehalogenase DbeA from Bradyrhizobium elkani USDA94
Descriptor: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase
Authors:Prudnikova, T, Chaloupkova, R, Rezacova, P, Mozga, T, Koudelakova, T, Sato, Y, Kuty, M, Nagata, Y, Damborsky, J, Kuta Smatanova, I, Structure 2 Function Project (S2F)
Deposit date:2013-04-08
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional analysis of a novel haloalkane dehalogenase with two halide-binding sites.
Acta Crystallogr.,Sect.D, 70, 2014
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
4KAJ
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BU of 4kaj by Molmil
X-Ray Structure of the complex of Haloalkane dehalogenase HaloTag7 with HALTS, Northeast Structural Genomics Consortium (NESG) Target OR151
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ...
Authors:Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-04-22
Release date:2013-06-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Northeast Structural Genomics Consortium Target OR151
To be Published
4KAC
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BU of 4kac by Molmil
X-Ray Structure of the complex HaloTag2 with HALTS. Northeast Structural Genomics Consortium (NESG) Target OR150.
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AMMONIUM ION, Haloalkane dehalogenase, ...
Authors:Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-04-22
Release date:2013-06-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.223 Å)
Cite:Northeast Structural Genomics Consortium Target OR150
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

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