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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
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
6HGV
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BU of 6hgv by Molmil
Soluble epoxide hydrolase in complex with talinolol
Descriptor: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, R-Talinolol
Authors:Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E.
Deposit date:2018-08-23
Release date:2019-07-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computer-Aided Selective Optimization of Side Activities of Talinolol.
Acs Med.Chem.Lett., 10, 2019
5AHX
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BU of 5ahx by Molmil
Apo structure of soluble epoxide hydrolase
Descriptor: BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, SULFATE ION
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-02-10
Release date:2015-05-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALM
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BU of 5alm by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: (3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-08
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
8SDD
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BU of 8sdd by Molmil
Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate
Descriptor: Alpha/beta hydrolase fold protein
Authors:Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A.
Deposit date:2023-04-06
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
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
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
5ALO
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BU of 5alo by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 3-BENZYL-3-METHYL-5-(1-METHYLPYRAZOL-4-YL)INDOLIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-08
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
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
5ALN
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BU of 5aln by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 5-(4-FLUOROPHENYL)-3,3-DIMETHYL-INDOLIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-08
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
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
1XQW
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BU of 1xqw by Molmil
Crystal structure of F1-mutant S105A complex with PHE-LEU
Descriptor: LEUCINE, PHENYLALANINE, Proline iminopeptidase
Authors:Goettig, P, Brandstetter, H, Groll, M, Goehring, W, Konarev, P.V, Svergun, D.I, Huber, R, Kim, J.-S.
Deposit date:2004-10-13
Release date:2005-07-12
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum
J.Biol.Chem., 280, 2005
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
3FSG
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BU of 3fsg by Molmil
Crystal structure of alpha/beta superfamily hydrolase from Oenococcus oeni PSU-1
Descriptor: 1,2-ETHANEDIOL, Alpha/beta superfamily hydrolase, CHLORIDE ION, ...
Authors:Nocek, B, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-01-09
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of alpha/beta superfamily hydrolase from Oenococcus oeni PSU-1
To be Published
5CW2
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BU of 5cw2 by Molmil
Crystal structure of Epoxide Hydrolase A from Mycobacterium thermoresistibile
Descriptor: 1,3-DIPHENYLUREA, Putative epoxide hydrolase EPHA, SODIUM ION
Authors:Schulz, E.C, Wilmanns, M.
Deposit date:2015-07-27
Release date:2016-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of mycobacterial Epoxide Hydrolase A
To Be Published
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
4L9A
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BU of 4l9a by Molmil
Crystal structure of Smu.1393c from cariogenic pathogen Streptococcus mutans
Descriptor: GLYCEROL, Putative uncharacterized protein Smu.1393c
Authors:Wang, Z, Li, L, Su, X.-D.
Deposit date:2013-06-18
Release date:2013-07-17
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterization of a novel alpha / beta hydrolase from cariogenic pathogen Streptococcus mutans.
Proteins, 82, 2014
6AZC
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BU of 6azc by Molmil
Crystal structure of Physcomitrella patens KAI2-like E S166A
Descriptor: Pp-KAI2-like E
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 (2.00001216 Å)
Cite:Structural Basis of Karrikin and Non-natural Strigolactone Perception in Physcomitrella patens.
Cell Rep, 26, 2019
6AZB
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BU of 6azb by Molmil
Crystal structure of Physcomitrella patens KAI2-like E
Descriptor: Pp-KAI2-like E
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 (2.00003529 Å)
Cite:Structural Basis of Karrikin and Non-natural Strigolactone Perception in Physcomitrella patens.
Cell Rep, 26, 2019
6YL4
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BU of 6yl4 by Molmil
Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide
Descriptor: 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide, Bifunctional epoxide hydrolase 2
Authors:Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E.
Deposit date:2020-04-06
Release date:2020-10-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase.
J.Med.Chem., 63, 2020
7CG2
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BU of 7cg2 by Molmil
Vigna radiata Epoxide hydrolase mutant
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 (2.001 Å)
Cite:Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds
Adv.Synth.Catal., 362, 2021
7OJM
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BU of 7ojm by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC 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:2021-05-16
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
8OXT
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BU of 8oxt by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) H251A VARIANT COMPLEXED WITH N-ACETYLANTHRANILATE AS RESULT OF IN CRYSTALLO TURNOVER OF ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE UNDER HYPEROXIC CONDITIONS
Descriptor: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-(ACETYLAMINO)BENZOIC ACID, GLYCEROL, ...
Authors:Bui, S, Steiner, R.A.
Deposit date:2023-05-02
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
1EDB
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BU of 1edb by Molmil
CRYSTALLOGRAPHIC AND FLUORESCENCE STUDIES OF THE INTERACTION OF HALOALKANE DEHALOGENASE WITH HALIDE IONS: STUDIES WITH HALIDE COMPOUNDS REVEAL A HALIDE BINDING SITE IN THE ACTIVE SITE
Descriptor: CHLORIDE ION, HALOALKANE DEHALOGENASE
Authors:Verschueren, K.H.G, Dijkstra, B.W.
Deposit date:1993-05-13
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystallographic and fluorescence studies of the interaction of haloalkane dehalogenase with halide ions. Studies with halide compounds reveal a halide binding site in the active site.
Biochemistry, 32, 1993

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数据于2024-05-29公开中

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