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7D78
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BU of 7d78 by Molmil
The structure of thioesterase DcsB
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ...
Authors:Tang, Y, Zhou, J.H, Wang, G.Q.
Deposit date:2020-10-03
Release date:2021-01-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.96543121 Å)
Cite:A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
8AGM
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BU of 8agm by Molmil
Limonene epoxide low pH soak of epoxide hydrolase from metagenomic source ch65
Descriptor: 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ...
Authors:Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A.
Deposit date:2022-07-20
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.966 Å)
Cite:Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
6AZD
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BU of 6azd by Molmil
Crystal structure of Physcomitrella patens KAI2-like H
Descriptor: PpKAI2-like H
Authors:Burger, M, Lee, H.J, Chory, J.
Deposit date:2017-09-11
Release date:2019-02-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.97010744 Å)
Cite:Structural Basis of Karrikin and Non-natural Strigolactone Perception in Physcomitrella patens.
Cell Rep, 26, 2019
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
5Z7J
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BU of 5z7j by Molmil
Crystal structure of a lactonase double mutant in complex with ligand l
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, DI(HYDROXYETHYL)ETHER, Lactonase for protein
Authors:Zheng, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-01-29
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018
7ZIW
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BU of 7ziw by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butyltrifluoromethanesulfonamide tetramethylrhodamine ligand (TMR-T4)
Descriptor: Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[4-(trifluoromethylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butyltrifluoromethanesulfonamide tetramethylrhodamine ligand (FSAm(4)-TMR)
To Be Published
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
Descriptor: (S)-hydroxynitrile lyase
Authors:Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
Deposit date:2022-10-19
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:to be published
To Be Published
8SNI
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BU of 8sni by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Forty Mutations
Descriptor: (S)-hydroxynitrile lyase, 1,2-ETHANEDIOL, BENZOIC ACID, ...
Authors:Walsh, M.E, Greenberg, L.R, Kazlauskas, R.J, Pierce, C.T, Aihara, H, Evans, R.L, Shi, K.
Deposit date:2023-04-27
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:To be published
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
1D07
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BU of 1d07 by Molmil
Hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 with 1,3-propanediol, a product of debromidation of dibrompropane, at 2.0A resolution
Descriptor: 1,3-PROPANDIOL, BROMIDE ION, HALOALKANE DEHALOGENASE
Authors:Marek, J, Vevodova, J, Damborsky, J, Smatanova, I, Svensson, L.A, Newman, J, Nagata, Y, Takagi, M.
Deposit date:1999-09-09
Release date:2000-09-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the haloalkane dehalogenase from Sphingomonas paucimobilis UT26.
Biochemistry, 39, 2000
7CG6
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BU of 7cg6 by Molmil
Vigna radiata Epoxide hydrolase mutant M263Q
Descriptor: Epoxide hydrolase
Authors:Li, F.L, Yu, H.L, Xu, J.H.
Deposit date:2020-06-30
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds
Adv.Synth.Catal., 362, 2021
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
1MT3
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BU of 1mt3 by Molmil
Crystal Structure of the Tricorn Interacting Factor Selenomethionine-F1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proline iminopeptidase
Authors:Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H.
Deposit date:2002-09-20
Release date:2002-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
8B6T
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BU of 8b6t by Molmil
X-ray structure of the interface optimized haloalkane dehalogenase HaloTag7 fusion to the green fluorescent protein GFP (ChemoG5-TMR) labeled with a chloroalkane tetramethylrhodamine fluorophore substrate
Descriptor: CHLORIDE ION, Green fluorescent protein,Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Hellweg, L, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
5XMD
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BU of 5xmd by Molmil
Crystal structure of epoxide hydrolase VrEH1 from Vigna radiata
Descriptor: Epoxide hydrolase A
Authors:Kong, X.D, Xu, J.H, Zhou, J.H.
Deposit date:2017-05-14
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Carboxyl reductase
to be published
8ORO
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BU of 8oro by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER HYPEROXYC CONDITIONS
Descriptor: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ...
Authors:Bui, S, Steiner, R.A.
Deposit date:2023-04-15
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
8OXN
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BU of 8oxn by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXYC CONDITIONS
Descriptor: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ...
Authors:Bui, S, Steiner, R.A.
Deposit date:2023-05-02
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
4GW3
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BU of 4gw3 by Molmil
Crystal Structure of the Lipase from Proteus mirabilis
Descriptor: CALCIUM ION, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Korman, T.P.
Deposit date:2012-08-31
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Proteus mirabilis Lipase, a Novel Lipase from the Proteus/Psychrophilic Subfamily of Lipase Family I.1.
Plos One, 7, 2012
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
5AKL
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BU of 5akl by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE, SULFATE ION
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-03
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
8B6O
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BU of 8b6o by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta) fused to M13
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2022-09-27
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta) fused to M13
To Be Published
1IUO
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BU of 1iuo by Molmil
meta-Cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) S103A mutant complexed with acetates
Descriptor: ACETATE ION, meta-Cleavage product hydrolase
Authors:Fushinobu, S, Saku, T, Hidaka, M, Jun, S.-Y, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T.
Deposit date:2002-03-06
Release date:2002-09-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of a meta-cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) complexed with cleavage products
PROTEIN SCI., 11, 2002
3LIP
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BU of 3lip by Molmil
OPEN CONFORMATION OF PSEUDOMONAS CEPACIA LIPASE
Descriptor: CALCIUM ION, TRIACYL-GLYCEROL-HYDROLASE
Authors:Lang, D.A, Schomburg, D.
Deposit date:1997-04-18
Release date:1997-06-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:The open conformation of a Pseudomonas lipase.
Structure, 5, 1997
4UFN
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BU of 4ufn by Molmil
Laboratory evolved variant R-C1B1 of potato epoxide hydrolase StEH1
Descriptor: 1,4-DIETHYLENE DIOXIDE, EPOXIDE HYDROLASE
Authors:Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M.
Deposit date:2015-03-17
Release date:2016-04-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational Diversity and Enantioconvergence in Potato Epoxide Hydrolase 1.
Org.Biomol.Chem., 14, 2016
3W9U
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BU of 3w9u by Molmil
Crystal structure of Lipk107
Descriptor: Putative lipase
Authors:Yuan, Y.A.
Deposit date:2013-04-17
Release date:2013-12-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Lipk107
To be Published

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