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7D78
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BU of 7d78 by Molmil
The structure of thioesterase DcsB
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ...
著者Tang, Y, Zhou, J.H, Wang, G.Q.
登録日2020-10-03
公開日2021-01-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.96543121 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ...
著者Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A.
登録日2022-07-20
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.966 Å)
主引用文献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
分子名称: PpKAI2-like H
著者Burger, M, Lee, H.J, Chory, J.
登録日2017-09-11
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97010744 Å)
主引用文献Structural Basis of Karrikin and Non-natural Strigolactone Perception in Physcomitrella patens.
Cell Rep, 26, 2019
5Z7J
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BU of 5z7j by Molmil
Crystal structure of a lactonase double mutant in complex with ligand l
分子名称: (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
著者Zheng, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-01-29
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018
3ANS
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BU of 3ans by Molmil
Human soluble epoxide hydrolase in complex with a synthetic inhibitor
分子名称: 4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide, Epoxide hydrolase 2
著者Chiyo, N, Ishii, T, Hourai, S, Yanagi, K.
登録日2010-09-08
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献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
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
分子名称: (S)-hydroxynitrile lyase
著者Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
登録日2022-10-19
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献to be published
To Be Published
8SNI
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BU of 8sni by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Forty Mutations
分子名称: (S)-hydroxynitrile lyase, 1,2-ETHANEDIOL, BENZOIC ACID, ...
著者Walsh, M.E, Greenberg, L.R, Kazlauskas, R.J, Pierce, C.T, Aihara, H, Evans, R.L, Shi, K.
登録日2023-04-27
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献To be published
To Be Published
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)
分子名称: Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[4-(trifluoromethylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
著者Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
登録日2022-04-08
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butyltrifluoromethanesulfonamide tetramethylrhodamine ligand (FSAm(4)-TMR)
To Be Published
3QVM
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BU of 3qvm by Molmil
The structure of olei00960, a hydrolase from Oleispira antarctica
分子名称: CALCIUM ION, CHLORIDE ION, Olei00960, ...
著者Singer, A.U, Kagan, O, Kim, Y, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-25
公開日2011-04-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
3CXU
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BU of 3cxu by Molmil
Structure of a Y149F mutant of epoxide hydrolase from Solanum tuberosum
分子名称: Epoxide hydrolase, TETRAETHYLENE GLYCOL
著者Naworyta, A, Mowbray, S.L, Widersten, M, Thomaeus, A.
登録日2008-04-25
公開日2008-07-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Removal of distal protein-water hydrogen bonds in a plant epoxide hydrolase increases catalytic turnover but decreases thermostability
Protein Sci., 17, 2008
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
分子名称: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ...
著者Bui, S, Steiner, R.A.
登録日2023-05-02
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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
分子名称: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ...
著者Bui, S, Steiner, R.A.
登録日2023-04-15
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
4UFN
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BU of 4ufn by Molmil
Laboratory evolved variant R-C1B1 of potato epoxide hydrolase StEH1
分子名称: 1,4-DIETHYLENE DIOXIDE, EPOXIDE HYDROLASE
著者Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M.
登録日2015-03-17
公開日2016-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational Diversity and Enantioconvergence in Potato Epoxide Hydrolase 1.
Org.Biomol.Chem., 14, 2016
5XMD
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BU of 5xmd by Molmil
Crystal structure of epoxide hydrolase VrEH1 from Vigna radiata
分子名称: Epoxide hydrolase A
著者Kong, X.D, Xu, J.H, Zhou, J.H.
登録日2017-05-14
公開日2018-05-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Carboxyl reductase
to be published
5AKL
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BU of 5akl by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-03
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5O2I
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BU of 5o2i by Molmil
An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation
分子名称: Fluoroacetate dehalogenase
著者Schulz, E.C, Mueller-Werkmeister, H, Mehrabi, P, Pai, E.F, Miller, R.J.D.
登録日2017-05-20
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation
To Be Published
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
分子名称: 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
著者Tarnawski, M, Hellweg, L, Hiblot, J.
登録日2022-09-27
公開日2023-07-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A general method for the development of multicolor biosensors with large dynamic ranges.
Nat.Chem.Biol., 19, 2023
7AVR
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BU of 7avr by Molmil
The tetrameric structure of haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2
分子名称: CHLORIDE ION, Haloalkane dehalogenase 1
著者Mazur, A, Kolenko, P, Prudnikova, T, Grinkevich, P, Kuta Smatanova, I.
登録日2020-11-05
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The tetrameric structure of the novel haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2.
Acta Crystallogr D Struct Biol, 77, 2021
8B6O
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X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta) fused to M13
分子名称: CHLORIDE ION, Haloalkane dehalogenase
著者Tarnawski, M, Johnsson, K, Hiblot, J.
登録日2022-09-27
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta) fused to M13
To Be Published
5AHX
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BU of 5ahx by Molmil
Apo structure of soluble epoxide hydrolase
分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-02-10
公開日2015-05-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
6HGV
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BU of 6hgv by Molmil
Soluble epoxide hydrolase in complex with talinolol
分子名称: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, R-Talinolol
著者Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E.
登録日2018-08-23
公開日2019-07-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computer-Aided Selective Optimization of Side Activities of Talinolol.
Acs Med.Chem.Lett., 10, 2019
5ALM
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BU of 5alm by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: (3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
8SDD
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BU of 8sdd by Molmil
Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate
分子名称: Alpha/beta hydrolase fold protein
著者Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A.
登録日2023-04-06
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases.
Febs J., 290, 2023
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
分子名称: (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2
著者Abis, G, Kopec, J, Yue, W.W, Conte, M.R.
登録日2018-11-13
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献15-deoxy-Delta12,14-Prostaglandin J2inhibits human soluble epoxide hydrolase by a dual orthosteric and allosteric mechanism.
Commun Biol, 2, 2019
4YAS
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HYDROXYNITRILE LYASE COMPLEXED WITH CHLORALHYDRATE
分子名称: PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION, TRI-CHLORO-ACETALDEHYDE
著者Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C.
登録日1999-03-15
公開日1999-10-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999

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