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6MUH
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BU of 6muh by Molmil
Fluoroacetate dehalogenase, room temperature structure solved by serial 1 degree oscillation crystallography
分子名称: Fluoroacetate dehalogenase
著者Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
登録日2018-10-23
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
1SC9
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BU of 1sc9 by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis in complex with the natural substrate acetone cyanohydrin
分子名称: (S)-acetone-cyanohydrin lyase, 2-HYDROXY-2-METHYLPROPANENITRILE, SULFATE ION
著者Gruber, K, Gartler, G, Krammer, B, Schwab, H, Kratky, C.
登録日2004-02-12
公開日2004-06-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reaction mechanism of hydroxynitrile lyases of the alpha/beta-hydrolase superfamily: the three-dimensional structure of the transient enzyme-substrate complex certifies the crucial role of LYS236
J.Biol.Chem., 279, 2004
5C81
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BU of 5c81 by Molmil
ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 12min
分子名称: (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one, FORMIC ACID, GLYCEROL, ...
著者Hu, X.-J, Qi, Q, Yang, W.-J.
登録日2015-06-25
公開日2016-06-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Case Study of Lactonase ZHD
To Be Published
5HZ2
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BU of 5hz2 by Molmil
Crystal structure of PhaC1 from Ralstonia eutropha
分子名称: GLYCEROL, Poly-beta-hydroxybutyrate polymerase, SULFATE ION
著者Kim, J, Kim, K.-J.
登録日2016-02-02
公開日2016-12-07
最終更新日2017-04-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Ralstonia eutropha polyhydroxyalkanoate synthase C-terminal domain and reaction mechanisms.
Biotechnol J, 12, 2017
6JRA
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BU of 6jra by Molmil
ZHD/W183F complex with hydrolyzed aZOL
分子名称: 2-[(~{E},6~{R},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, POTASSIUM ION, ...
著者Hu, X.J.
登録日2019-04-03
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of ZHD complex
To Be Published
1MTZ
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BU of 1mtz by Molmil
Crystal Structure of the Tricorn Interacting Factor F1
分子名称: Proline iminopeptidase
著者Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H.
登録日2002-09-23
公開日2002-11-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
6JRB
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BU of 6jrb by Molmil
ZHD/W183F complex with bZOL
分子名称: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, GLYCEROL, Zearalenone hydrolase
著者Hu, X.J.
登録日2019-04-03
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of ZHD complex
To Be Published
3R3X
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BU of 3r3x by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Bromoacetate
分子名称: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ...
著者Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
登録日2011-03-16
公開日2011-05-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
6FSX
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BU of 6fsx by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography
分子名称: Fluoroacetate dehalogenase
著者Schulz, E.C, Mehrabi, P, Mueller-werkmeiser, H, Tellkamp, F, Jha, A, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E, Miller, D.
登録日2018-02-20
公開日2018-10-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
5D6O
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BU of 5d6o by Molmil
Orthorhombic Crystal Structure of an acetylester hydrolase from Corynebacterium glutamicum
分子名称: CHLORIDE ION, GLYCEROL, Homoserine O-acetyltransferase, ...
著者Niefind, K, Toelzer, C, Altenbuchner, J, Watzlawick, H.
登録日2015-08-12
公開日2015-12-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases.
Febs Lett., 590, 2016
4H7E
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BU of 4h7e by Molmil
Crystal structure of haloalkane dehalogenase LinB V112A mutant from Sphingobium sp. MI1205
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Okai, M, Ohtsuka, J, Imai, L.F, Mase, T, Moriuchi, R, Tsuda, M, Nagata, K, Nagata, Y, Tanokura, M.
登録日2012-09-20
公開日2013-06-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure and Site-Directed Mutagenesis Analyses of Haloalkane Dehalogenase LinB from Sphingobium sp. Strain MI1205.
J.Bacteriol., 195, 2013
4H7F
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BU of 4h7f by Molmil
Crystal structure of haloalkane dehalogenase LinB V134I mutant from Sphingobium sp. MI1205
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Okai, M, Ohtsuka, J, Imai, L.F, Mase, T, Moriuchi, R, Tsuda, M, Nagata, K, Nagata, Y, Tanokura, M.
登録日2012-09-20
公開日2013-06-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure and Site-Directed Mutagenesis Analyses of Haloalkane Dehalogenase LinB from Sphingobium sp. Strain MI1205.
J.Bacteriol., 195, 2013
1UKB
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BU of 1ukb by Molmil
Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with benzoate
分子名称: 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase, BENZOIC ACID
著者Fushinobu, S, Jun, S.-Y, Hidaka, M, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T.
登録日2003-08-19
公開日2004-09-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Series of Crystal Structures of a meta-Cleavage Product Hydrolase from Pseudomonas fluorescens IP01 (CumD) Complexed with Various Cleavage Products
BIOSCI.BIOTECHNOL.BIOCHEM., 69, 2005
1UK9
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BU of 1uk9 by Molmil
Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with isovalerate
分子名称: 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase, ISOVALERIC ACID
著者Fushinobu, S, Jun, S.-Y, Hidaka, M, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T.
登録日2003-08-19
公開日2004-09-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Series of Crystal Structures of a meta-Cleavage Product Hydrolase from Pseudomonas fluorescens IP01 (CumD) Complexed with Various Cleavage Products
BIOSCI.BIOTECHNOL.BIOCHEM., 69, 2005
4H7J
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BU of 4h7j by Molmil
Crystal structure of haloalkane dehalogenase LinB H247A mutant from Sphingobium sp. MI1205
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Okai, M, Ohtsuka, J, Imai, L.F, Mase, T, Moriuchi, R, Tsuda, M, Nagata, K, Nagata, Y, Tanokura, M.
登録日2012-09-20
公開日2013-06-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure and Site-Directed Mutagenesis Analyses of Haloalkane Dehalogenase LinB from Sphingobium sp. Strain MI1205.
J.Bacteriol., 195, 2013
2NW6
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BU of 2nw6 by Molmil
Burkholderia cepacia lipase complexed with S-inhibitor
分子名称: (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE, CALCIUM ION, Lipase, ...
著者Luic, M, Stefanic, Z.
登録日2006-11-14
公開日2007-12-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Combined X-ray diffraction and QM/MM study of the Burkholderia cepacia lipase-catalyzed secondary alcohol esterification
J.Phys.Chem.B, 112, 2008
6GXH
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BU of 6gxh by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD 0MS after reaction initiation
分子名称: Fluoroacetate dehalogenase
著者Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D.
登録日2018-06-27
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
8G5U
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BU of 8g5u by Molmil
Crystal structure of TnmK2 complexed with TNM B
分子名称: TnmK2, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate
著者Liu, Y.-C, Gui, C, Shen, B.
登録日2023-02-14
公開日2023-10-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis.
Nat.Chem.Biol., 20, 2024
1VA4
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BU of 1va4 by Molmil
Pseudomonas fluorescens aryl esterase
分子名称: Arylesterase, GLYCEROL
著者Cheeseman, J.D, Tocilj, A, Park, S, Schrag, J.D, Kazlauskas, R.J.
登録日2004-02-11
公開日2004-07-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献Structure of an aryl esterase from Pseudomonas fluorescens.
Acta Crystallogr.,Sect.D, 60, 2004
5AKI
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BU of 5aki by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
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 (1.81 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
3VVL
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BU of 3vvl by Molmil
Crystal structure of L-serine-O-acetyltransferase found in D-cycloserine biosynthetic pathway
分子名称: Homoserine O-acetyltransferase
著者Oda, K, Matoba, Y, Kumagai, T, Noda, M, Sugiyama, M.
登録日2012-07-26
公開日2013-03-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystallographic study to determine the substrate specificity of an L-serine-acetylating enzyme found in the D-cycloserine biosynthetic pathway
J.Bacteriol., 195, 2013
7ZM3
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BU of 7zm3 by Molmil
Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC17
分子名称: 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, hexadecyl dihydrogen phosphate
著者Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G.
登録日2022-04-19
公開日2022-09-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
5EFZ
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BU of 5efz by Molmil
Monoclinic structure of the acetyl esterase MekB
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Toelzer, C, Pal, S, Watzlawick, H, Altenbuchner, J, Niefind, K.
登録日2015-10-26
公開日2015-12-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases.
Febs Lett., 590, 2016
6COB
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BU of 6cob by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I
分子名称: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL
著者Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
登録日2018-03-12
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献AtHNL enantioselectivity mutants
To be published
2PUH
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BU of 2puh by Molmil
Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with its substrate HOPDA
分子名称: (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, ...
著者Bhowmik, S, Bolin, J.T.
登録日2007-05-09
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase: KINETIC AND STRUCTURAL EVIDENCE SUPPORTING A KEY ROLE FOR HISTIDINE 265 OF THE CATALYTIC TRIAD.
J.Biol.Chem., 282, 2007

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