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8QZD
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BU of 8qzd by Molmil
Soluble epoxide hydrolase in complex with Epoxykinin
Descriptor: 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ...
Authors:Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-10-27
Release date:2024-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator.
J.Med.Chem., 67, 2024
1HDE
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BU of 1hde by Molmil
HALOALKANE DEHALOGENASE MUTANT WITH PHE 172 REPLACED WITH TRP
Descriptor: HALOALKANE DEHALOGENASE
Authors:Ridder, I.S, Kalk, K.H, Dijkstra, B.W.
Deposit date:1996-08-08
Release date:1997-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Kinetic characterization and X-ray structure of a mutant of haloalkane dehalogenase with higher catalytic activity and modified substrate range.
Biochemistry, 35, 1996
4LIP
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BU of 4lip by Molmil
PSEUDOMONAS LIPASE COMPLEXED WITH RC-(RP, SP)-DIBUTYLCARBAMOYLGLYCERO-3-O-BUTYLPHOSPHONATE
Descriptor: BUTYLPHOSPHONATE, CALCIUM ION, TRIACYL-GLYCEROL-HYDROLASE
Authors:Lang, D.A, Dijkstra, B.W.
Deposit date:1997-08-18
Release date:1998-08-19
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis of the chiral selectivity of Pseudomonas cepacia lipase
Eur.J.Biochem., 254, 1998
3KXP
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BU of 3kxp by Molmil
Crystal Structure of E-2-(Acetamidomethylene)succinate Hydrolase
Descriptor: Alpha-(N-acetylaminomethylene)succinic acid hydrolase, CHLORIDE ION
Authors:McCulloch, K.M, Mukherjee, T, Begley, T.P, Ealick, S.E.
Deposit date:2009-12-03
Release date:2010-02-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure determination and characterization of the vitamin B(6) degradative enzyme (E)-2-(acetamidomethylene)succinate hydrolase.
Biochemistry, 49, 2010
7SFM
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BU of 7sfm by Molmil
Mycobacterium tuberculosis Hip1 crystal structure
Descriptor: ACETATE ION, GLYCEROL, Hip1
Authors:Ostrov, D.A, Li, D.
Deposit date:2021-10-04
Release date:2022-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1).
Biochem.Biophys.Res.Commun., 630, 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
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
1QTR
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BU of 1qtr by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE PROLYL AMINOPEPTIDASE FROM SERRATIA MARCESCENS
Descriptor: PROLYL AMINOPEPTIDASE
Authors:Yoshimoto, T, Kabashima, T, Uchikawa, K, Inoue, T, Tanaka, N.
Deposit date:1999-06-28
Release date:1999-07-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structure of prolyl aminopeptidase from Serratia marcescens.
J.Biochem.(Tokyo), 126, 1999
7AL5
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BU of 7al5 by Molmil
Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Feiler, C.G, Blankenfeldt, W.
Deposit date:2020-10-05
Release date:2020-11-11
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
To Be Published
7AL6
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BU of 7al6 by Molmil
Crystal structure of the hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Probable hydrolase, ...
Authors:Feiler, C.G, Blankenfeldt, W.
Deposit date:2020-10-05
Release date:2020-10-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
To Be Published
5FLK
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BU of 5flk by Molmil
Structure of haloalkane dehalogenase variant DhaA101
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DHAA101, DI(HYDROXYETHYL)ETHER
Authors:Chaloupkova, R, Waterman, J, Damborsky, J.
Deposit date:2015-10-26
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Evolutionary Analysis is a Powerful Complement to Energy Calculations Allowing Entropy-Driven Stabilization
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
1QJ4
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BU of 1qj4 by Molmil
HYDROXYNITRILE-LYASE FROM HEVEA BRASILIENSIS AT ATOMIC RESOLUTION
Descriptor: GLYCEROL, HYDROXYNITRILE LYASE, SULFATE ION
Authors:Gugganig, M, Gruber, K, Kratky, C.
Deposit date:1999-06-21
Release date:1999-10-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic Resolution Crystal Structure of Hydroxynitrile Lyase from Hevea Brasiliensis
Biol.Chem., 380, 1999
8F2L
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BU of 8f2l by Molmil
Crystal structure of Mycobacterium tuberculosis Homoserine transacetylase in complex with L-Homoserine
Descriptor: Homoserine O-acetyltransferase, L-HOMOSERINE
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-08
Release date:2023-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023
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
2HAD
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BU of 2had by Molmil
CRYSTAL STRUCTURE OF HALOALKANE DEHALOGENASE: AN ENZYME TO DETOXIFY HALOGENATED ALKANES
Descriptor: HALOALKANE DEHALOGENASE
Authors:Verschueren, K.H.G, Franken, S.M, Dijkstra, B.W.
Deposit date:1992-08-07
Release date:1993-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of haloalkane dehalogenase: an enzyme to detoxify halogenated alkanes.
EMBO J., 10, 1991
2G4L
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BU of 2g4l by Molmil
Anomalous substructure of hydroxynitrile lyase
Descriptor: (S)-acetone-cyanohydrin lyase, CHLORIDE ION, SULFATE ION
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
3R3Y
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BU of 3r3y by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R40
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BU of 3r40 by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/apo
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R3X
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BU of 3r3x by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Bromoacetate
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ...
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
7RYT
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BU of 7ryt by Molmil
Crystal structure of Mycobacterium tuberculosis acetylated Homoserine transacetylase with Coenzyme A
Descriptor: COENZYME A, DI(HYDROXYETHYL)ETHER, Homoserine O-acetyltransferase, ...
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2021-08-26
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023
5XM6
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BU of 5xm6 by Molmil
the overall structure of VrEH2
Descriptor: Epoxide hydrolase
Authors:Li, F.L, Kong, X.D, Yu, H.L, Shang, Y.P, Zhou, J.H, Xu, J.H.
Deposit date:2017-05-12
Release date:2018-09-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Acs Catalysis, 8, 2018
5XO8
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BU of 5xo8 by Molmil
Crystal structure of a novel ZEN lactonase mutant with ligand Z
Descriptor: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Lactonase for protein
Authors:Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-05-27
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018
7WAN
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BU of 7wan by Molmil
Crystal structure of HaloTag complexed with UL2
Descriptor: (R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol, CHLORIDE ION, Haloalkane dehalogenase
Authors:Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H.
Deposit date:2021-12-14
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.284 Å)
Cite:A chemical tool for blue light-inducible proximity photo-crosslinking in live cells.
Chem Sci, 13, 2022
7WAM
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BU of 7wam by Molmil
Crystal structure of HaloTag complexed with VL1
Descriptor: 3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-[2-(2-hexoxyethoxy)ethyl]propanamide, CHLORIDE ION, Haloalkane dehalogenase
Authors:Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H.
Deposit date:2021-12-14
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A chemical tool for blue light-inducible proximity photo-crosslinking in live cells.
Chem Sci, 13, 2022

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