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4F0J
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BU of 4f0j by Molmil
Crystal structure of a probable hydrolytic enzyme (PA3053) from Pseudomonas aeruginosa PAO1 at 1.50 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, NONAETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-05-04
Release date:2012-07-04
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a probable hydrolytic enzyme (PA3053) from Pseudomonas aeruginosa PAO1 at 1.50 A resolution
To be published
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
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
4FWB
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BU of 4fwb by Molmil
Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31 in complex with 1, 2, 3 - trichloropropane
Descriptor: 1,2,3-trichloropropane, CHLORIDE ION, Haloalkane dehalogenase
Authors:Lahoda, M, Stsiapanava, A, Mesters, J, Kuta Smatanova, I.
Deposit date:2012-06-30
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31.
Acta Crystallogr.,Sect.D, 70, 2014
3BDI
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BU of 3bdi by Molmil
Crystal structure of predicted CIB-like hydrolase (NP_393672.1) from Thermoplasma acidophilum at 1.45 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, Uncharacterized protein Ta0194
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-11-14
Release date:2007-11-27
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of predicted CIB-like hydrolase (NP_393672.1) from Thermoplasma acidophilum at 1.45 A resolution
To be published
4G8B
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BU of 4g8b by Molmil
Crystal structures of N-acyl homoserine lactonase AidH S102G mutant complexed with N-hexanoyl homoserine lactone
Descriptor: Alpha/beta hydrolase fold protein, N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.302 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4G9E
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BU of 4g9e by Molmil
Crystal structures of N-acyl homoserine lactonase AidH complexed with N-butanoyl homoserine
Descriptor: Alpha/beta hydrolase fold protein, N-butanoyl-L-homoserine
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.088 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
6I5G
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BU of 6i5g by Molmil
X-ray structure of human soluble Epoxide Hydrolase C-terminal Domain (hsEH CTD)in complex with 15d-PGJ2
Descriptor: (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2
Authors:Abis, G, Kopec, J, Yue, W.W, Conte, M.R.
Deposit date:2018-11-13
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:15-deoxy-Delta12,14-Prostaglandin J2inhibits human soluble epoxide hydrolase by a dual orthosteric and allosteric mechanism.
Commun Biol, 2, 2019
6I5E
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BU of 6i5e by Molmil
X-ray structure of apo human soluble Epoxide Hydrolase C-terminal Domain (hsEH CTD)
Descriptor: Bifunctional epoxide hydrolase 2
Authors:Abis, G, Kopec, J, Yue, W.W, Conte, M.R.
Deposit date:2018-11-13
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:15-deoxy-Delta12,14-Prostaglandin J2inhibits human soluble epoxide hydrolase by a dual orthosteric and allosteric mechanism.
Commun Biol, 2, 2019
2OCI
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BU of 2oci by Molmil
Crystal structure of valacyclovir hydrolase complexed with a product analogue
Descriptor: L-TYROSINAMIDE, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Lai, L, Xu, Z, Amidon, G.L.
Deposit date:2006-12-20
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
2OCK
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BU of 2ock by Molmil
Crystal structure of valacyclovir hydrolase D123N mutant
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, Valacyclovir hydrolase
Authors:Lai, L, Xu, Z, Amidon, G.L.
Deposit date:2006-12-20
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
2OCL
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BU of 2ocl by Molmil
Crystal structure of valacyclovir hydrolase S122A mutant
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, Valacyclovir hydrolase
Authors:Lai, L, Xu, Z, Amidon, G.L.
Deposit date:2006-12-20
Release date:2008-02-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
6IOI
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BU of 6ioi by Molmil
Crystal structure of Homoserine O-acetyltransferase in complex with CoA from Mycobacterium smegmatis ATCC 19420
Descriptor: COENZYME A, 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 (1.6 Å)
Cite:Crystal structure and biochemical characterization of O-acetylhomoserine acetyltransferase from Mycobacterium smegmatis ATCC 19420.
Biochem.Biophys.Res.Commun., 517, 2019
2OG1
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BU of 2og1 by Molmil
Crystal Structure of BphD, a C-C hydrolase from Burkholderia xenovorans LB400
Descriptor: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, ETHANOL, GLYCEROL, ...
Authors:Dai, S, Ke, J, Bolin, J.T.
Deposit date:2007-01-04
Release date:2007-01-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Kinetic and structural insight into the mechanism of BphD, a C-C bond hydrolase from the biphenyl degradation pathway
Biochemistry, 45, 2006
6I8W
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BU of 6i8w by Molmil
Crystal structure of a membrane phospholipase A, a novel bacterial virulence factor
Descriptor: Alpha/beta fold hydrolase, CARBON DIOXIDE, ISOPROPYL ALCOHOL, ...
Authors:Granzin, J, Batra-Safferling, R.
Deposit date:2018-11-21
Release date:2019-11-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural, mechanistic, and physiological insights into phospholipase A-mediated membrane phospholipid degradation in Pseudomonas aeruginosa.
Elife, 11, 2022
2OCG
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BU of 2ocg by Molmil
Crystal structure of human valacyclovir hydrolase
Descriptor: GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Lai, L, Xu, Z, Amidon, G.L.
Deposit date:2006-12-20
Release date:2008-02-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
2O2H
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BU of 2o2h by Molmil
Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,2-dichloroethane
Descriptor: 1,2-DICHLOROETHANE, ACETATE ION, CHLORIDE ION, ...
Authors:Mazumdar, P.A, Hulecki, J, Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
Deposit date:2006-11-29
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,2-dichloroethane
TO BE PUBLISHED
6IMP
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BU of 6imp by Molmil
Crystal structure of alpha-beta hydrolase (ABH) from Vibrio vulnificus
Descriptor: RTX toxin RtxA
Authors:Kim, M.H, Hwang, J.
Deposit date:2018-10-23
Release date:2019-08-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Makes caterpillars floppy-like effector-containing MARTX toxins require host ADP-ribosylation factor (ARF) proteins for systemic pathogenicity.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IOH
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BU of 6ioh by Molmil
Crystal structure of Homoserine O-acetyltransferase in complex with Homoserine from Mycobacterium smegmatis ATCC 19420
Descriptor: Homoserine O-acetyltransferase, L-HOMOSERINE
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 (2 Å)
Cite:Crystal structure and biochemical characterization of O-acetylhomoserine acetyltransferase from Mycobacterium smegmatis ATCC 19420.
Biochem.Biophys.Res.Commun., 517, 2019
2O2I
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BU of 2o2i by Molmil
Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,3-propandiol
Descriptor: 1,3-PROPANDIOL, BROMIDE 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:2006-11-29
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,3-propandiol
To be Published
2NW6
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BU of 2nw6 by Molmil
Burkholderia cepacia lipase complexed with S-inhibitor
Descriptor: (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE, CALCIUM ION, Lipase, ...
Authors:Luic, M, Stefanic, Z.
Deposit date:2006-11-14
Release date:2007-12-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combined X-ray diffraction and QM/MM study of the Burkholderia cepacia lipase-catalyzed secondary alcohol esterification
J.Phys.Chem.B, 112, 2008
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
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
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
6JRA
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BU of 6jra by Molmil
ZHD/W183F complex with hydrolyzed aZOL
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 (1.8 Å)
Cite:Structure of ZHD complex
To Be Published

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