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7PCX
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BU of 7pcx by Molmil
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165W LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
Deposit date:2021-08-04
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Engineered HaloTag variants for fluorescence lifetime multiplexing.
Nat.Methods, 19, 2022
7PCW
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BU of 7pcw by Molmil
X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-M175W LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE
Descriptor: CHLORIDE ION, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K.
Deposit date:2021-08-04
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineered HaloTag variants for fluorescence lifetime multiplexing.
Nat.Methods, 19, 2022
7OKZ
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BU of 7okz 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 HYPEROXIC 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:2021-05-18
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
7OMO
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BU of 7omo by Molmil
Crystal structure of coelenteramine-bound Renilla reniformis luciferase RLuc8-D120A variant
Descriptor: 4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol, CHLORIDE ION, GLYCEROL, ...
Authors:Schenkmayerova, A, Marek, M.
Deposit date:2021-05-24
Release date:2022-06-01
Last modified:2023-01-18
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
2DHD
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BU of 2dhd by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF THE CATALYTIC MECHANISM OF HALOALKANE DEHALOGENASE
Descriptor: CHLORIDE ION, HALOALKANE DEHALOGENASE
Authors:Verschueren, K.H.G, Dijkstra, B.W.
Deposit date:1993-09-08
Release date:1994-07-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystallographic analysis of the catalytic mechanism of haloalkane dehalogenase.
Nature, 363, 1993
7OMR
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BU of 7omr by Molmil
Crystal structure of coelenteramide-bound Renilla reniformis luciferase RLuc8-D162A variant
Descriptor: Coelenterazine h 2-monooxygenase, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
Authors:Schenkmayerova, A, Marek, M.
Deposit date:2021-05-24
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7OMD
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BU of 7omd by Molmil
Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A
Descriptor: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ...
Authors:Schenkmayerova, A, Janin, Y.L, Marek, M.
Deposit date:2021-05-21
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
2DHC
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BU of 2dhc by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF THE CATALYTIC MECHANISM OF HALOALKANE DEHALOGENASE
Descriptor: 1,2-DICHLOROETHANE, HALOALKANE DEHALOGENASE
Authors:Verschueren, K.H.G, Dijkstra, B.W.
Deposit date:1993-09-08
Release date:1994-07-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic analysis of the catalytic mechanism of haloalkane dehalogenase.
Nature, 363, 1993
7P4K
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BU of 7p4k by Molmil
Soluble epoxide hydrolase in complex with FL217
Descriptor: Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide
Authors:Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
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
6Y7A
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BU of 6y7a by Molmil
X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2020-02-28
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Biochemistry, 60, 2021
6Y7B
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BU of 6y7b by Molmil
X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-carbopyronine fluorophore substrate
Descriptor: 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid, CHLORIDE ION, Haloalkane dehalogenase
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2020-02-28
Release date:2021-03-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Biochemistry, 60, 2021
6YN2
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BU of 6yn2 by Molmil
Crystal structure of Renilla reniformis luciferase variant RLuc8-W121F/E144Q in complex with a coelenteramide (the postcatalytic enzyme-product complex)
Descriptor: ACETATE ION, Coelenterazine h 2-monooxygenase, GLYCEROL, ...
Authors:Damborsky, J, Marek, M.
Deposit date:2020-04-10
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering the protein dynamics of an ancestral luciferase.
Nat Commun, 12, 2021
2BFN
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BU of 2bfn by Molmil
The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane.
Descriptor: (2S)-2,3-DICHLOROPROPAN-1-OL, CALCIUM ION, CHLORIDE ION, ...
Authors:Banas, P, Otyepka, M, Jerabek, P, Vevodova, J, Bohac, M, Damborsky, J.
Deposit date:2004-12-09
Release date:2006-06-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Weak Activity of Haloalkane Dehalogenase Linb with 1,2,3-Trichloropropane Revealed by X-Ray Crystallography and Microcalorimetry
Appl.Environ.Microbiol., 73, 2007
2CJP
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BU of 2cjp by Molmil
Structure of potato (Solanum tuberosum) epoxide hydrolase I (StEH1)
Descriptor: 1,2-ETHANEDIOL, 2-PROPYLPENTANAMIDE, EPOXIDE HYDROLASE, ...
Authors:Mowbray, S.L, Elfstrom, L.T, Ahlgren, K.M, Andersson, C.E, Widersten, M.
Deposit date:2006-04-05
Release date:2006-06-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-Ray Structure of Potato Epoxide Hydrolase Sheds Light on Substrate Specificity in Plant Enzymes.
Protein Sci., 15, 2006
5LKA
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BU of 5lka by Molmil
Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 at 1.3 A resolution
Descriptor: Haloalkane dehalogenase, THIOCYANATE ION
Authors:Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I.
Deposit date:2016-07-21
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Engineering a de novo transport tunnel.
Acs Catalysis, 2016
2EDC
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BU of 2edc 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: HALOALKANE DEHALOGENASE, IODIDE ION
Authors:Verschueren, K.H.G, Dijkstra, B.W.
Deposit date:1993-08-31
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 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
5LIP
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BU of 5lip by Molmil
PSEUDOMONAS LIPASE COMPLEXED WITH RC-(RP, SP)-1,2-DIOCTYLCARBAMOYLGLYCERO-3-O-OCTYLPHOSPHONATE
Descriptor: CALCIUM ION, OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER, TRIACYL-GLYCEROL HYDROLASE
Authors:Lang, D.A, Dijkstra, B.W.
Deposit date:1997-09-02
Release date:1998-08-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of the chiral selectivity of Pseudomonas cepacia lipase
Eur.J.Biochem., 254, 1998
2E3J
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BU of 2e3j by Molmil
The crystal structure of epoxide hydrolase B (Rv1938) from mycobacterium tuberculosis at 2.1 angstrom
Descriptor: ACETATE ION, EPOXIDE HYDROLASE EPHB
Authors:Biswal, B.K, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2006-11-27
Release date:2007-12-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor.
J.Mol.Biol., 381, 2008
2EDA
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BU of 2eda 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: HALOALKANE DEHALOGENASE, IODIDE ION
Authors:Verschueren, K.H.G, Dijkstra, B.W.
Deposit date:1993-08-30
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.19 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
2B61
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BU of 2b61 by Molmil
Crystal Structure of Homoserine Transacetylase
Descriptor: Homoserine O-acetyltransferase
Authors:Mirza, I.A, Nazi, I, Korczynska, M, Wright, G.D, Berghuis, A.M.
Deposit date:2005-09-29
Release date:2005-11-15
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Homoserine Transacetylase from Haemophilus influenzae Reveals a New Family of alpha/beta-Hydrolases
Biochemistry, 44, 2005
6ZCC
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BU of 6zcc by Molmil
X-ray structure of the Haloalkane dehalogenase HOB (HaloTag7-based Oligonucleotide Binder) labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate
Descriptor: ACETATE ION, CALCIUM ION, Haloalkane dehalogenase, ...
Authors:Tarnawski, M, Johnsson, K, Hiblot, J.
Deposit date:2020-06-10
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Biochemistry, 60, 2021
7A43
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BU of 7a43 by Molmil
Fluoroacetate Dehalogenase measured by serial femtosecond crystallography
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Mehrabi, P, Schulz, E.C, Buecker, R.
Deposit date:2020-08-19
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Sci Adv, 7, 2021
4OSE
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BU of 4ose by Molmil
X-ray Crystal Structure of a Putative Hydrolase from Rickettsia typhi
Descriptor: Putative Hydrolase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-02-12
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Crystal Structure of a Putative Hydrolase from Rickettsia typhi
TO BE PUBLISHED
7A42
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BU of 7a42 by Molmil
Fluoroacetate Dehalogenase measured by serial synchrotron crystallography
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Mehrabi, P, Schulz, E.C, Buecker, R.
Deposit date:2020-08-19
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Sci Adv, 7, 2021

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