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7PRB
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BU of 7prb by Molmil
Crystal structure of Burkholderia pseudomallei heparanase in complex with covalent inhibitor GR109
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Glyco_hydro_44 domain-containing protein
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-21
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PR6
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BU of 7pr6 by Molmil
Crystal structure of E. coli beta-glucuronidase in complex with covalent inhibitor ME727
分子名称: (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-20
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PR9
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BU of 7pr9 by Molmil
Crystal structure of Burkholderia pseudomallei heparanase in complex with covalent inhibitor VL166
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Glyco_hydro_44 domain-containing protein
著者Wu, L, Armstrong, Z, Davies, G.J.
登録日2021-09-21
公開日2022-08-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
5I24
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BU of 5i24 by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF021
分子名称: (1R,2S,3S,4R,5S,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Wu, L, Davies, G.J.
登録日2016-02-08
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
5L77
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BU of 5l77 by Molmil
A glycoside hydrolase mutant with an unreacted activity based probe bound
分子名称: (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
著者Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J.
登録日2016-06-02
公開日2017-05-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
2L7T
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BU of 2l7t by Molmil
Solution structure of the MFS-bound Sans CEN2 peptide
分子名称: MFS-bound Sans CEN2 peptide
著者Pan, L, Wu, L, Wei, Z, Zhang, M.
登録日2010-12-22
公開日2011-03-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of MyTH4-FERM domains in myosin VIIa tail bound to cargo.
Science, 331, 2011
2LSR
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BU of 2lsr by Molmil
Solution structure of harmonin N terminal domain in complex with a exon68 encoded peptide of cadherin23
分子名称: Harmonin, peptide from Cadherin-23
著者Pan, L, Wu, L, Zhang, C, Zhang, M.
登録日2012-05-04
公開日2012-08-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Large protein assemblies formed by multivalent interactions between cadherin23 and harmonin suggest a stable anchorage structure at the tip link of stereocilia.
J.Biol.Chem., 287, 2012
4FTW
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BU of 4ftw by Molmil
Crystal structure of a carboxyl esterase N110C/L145H at 2.3 angstrom resolution
分子名称: 3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, CHLORIDE ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
著者Wu, L, Ma, J, Zhou, J, Yu, H.
登録日2012-06-28
公開日2012-10-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution.
Appl.Microbiol.Biotechnol., 97, 2013
5G0Q
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BU of 5g0q by Molmil
beta-glucuronidase with an activity-based probe (N-alkyl cyclophellitol aziridine) bound
分子名称: (1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY-, BETA-GLUCURONIDASE, GLYCEROL
著者Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J.
登録日2016-03-22
公開日2017-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
6KTW
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BU of 6ktw by Molmil
structure of EanB with hercynine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-29
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.931 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KU2
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BU of 6ku2 by Molmil
The structure of EanB/Y353A complex with ergothioneine covalent linked with persulfide Cys412
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-30
公開日2020-08-26
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTZ
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BU of 6ktz by Molmil
The complex structure of EanB/C412S with hercynine
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-29
公開日2020-08-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTV
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BU of 6ktv by Molmil
The structure of EanB complex with hercynine and persulfided Cys412
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-29
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTX
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BU of 6ktx by Molmil
The wildtype structure of EanB
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-29
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.189 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KU1
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BU of 6ku1 by Molmil
The structure of EanB/Y353A complex with ergothioneine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-30
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6HZY
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BU of 6hzy by Molmil
Crystal structure of a bacterial fucosidase with inhibitor FucPUG
分子名称: 1,2-ETHANEDIOL, Alpha-L-fucosidase, SULFATE ION, ...
著者Wu, L, Davies, G.J, Stubbs, K.A, Coyle, T, Debowski, A.W.
登録日2018-10-24
公開日2019-02-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthetic and Crystallographic Insight into Exploiting sp2Hybridization in the Development of alpha-l-Fucosidase Inhibitors.
Chembiochem, 20, 2019
7ETK
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BU of 7etk by Molmil
The complex structure of FtmOx1 bond with fumitremorgen B at 1.22 angstrom
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ...
著者Zhou, J.H, Wu, L.
登録日2021-05-13
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.22027433 Å)
主引用文献Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1.
Angew.Chem.Int.Ed.Engl., 61, 2022
7ETL
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BU of 7etl by Molmil
The crystal structure of FtmOx1-Y68F
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
著者Zhou, J.H, Wu, L.
登録日2021-05-13
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.992128 Å)
主引用文献Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1.
Angew.Chem.Int.Ed.Engl., 61, 2022
7V3E
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BU of 7v3e by Molmil
The complex structure of soBcmB and its intermediate product 1a
分子名称: (3S,6Z)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
著者Wu, L, Zhou, J.H.
登録日2021-08-10
公開日2023-02-15
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7V34
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BU of 7v34 by Molmil
The complex structure of soBcmB and its product 1d
分子名称: (3S,4S,5S,8S)-8-[(2S)-butan-2-yl]-3-methyl-3,4-bis(oxidanyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
著者Wu, L, Zhou, J.H.
登録日2021-08-10
公開日2023-02-15
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.000169 Å)
主引用文献Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7V36
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BU of 7v36 by Molmil
The complex structure of soBcmB and its intermediate product 2a
分子名称: (3Z,6S)-3-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
著者Wu, L, Zhou, J.H.
登録日2021-08-10
公開日2023-02-15
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.96009171 Å)
主引用文献Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7V3N
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BU of 7v3n by Molmil
The complex structure of soBcmB-D307A and its natural precursor 2
分子名称: (3S,6S)-3-((R)-2,3-dihydroxy-2-methylpropyl)-6-((S)-4-hydroxybutan-2-yl)piperazine-2,5-dione, 2-OXOGLUTARIC ACID, FE (II) ION, ...
著者Wu, L, Zhou, J.H.
登録日2021-08-10
公開日2023-02-15
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.850011 Å)
主引用文献Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7V3O
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BU of 7v3o by Molmil
The structure of Se-SoBcmB with Fe(II)and AKG
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, FE (II) ION, ...
著者Wu, L, Zhou, J.H.
登録日2021-08-10
公開日2023-02-15
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.83004665 Å)
主引用文献Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
5YNG
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BU of 5yng by Molmil
Crystal structure of SZ348 in complex with cyclopentene oxide
分子名称: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ...
著者Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
登録日2017-10-24
公開日2018-06-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
6PT3
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BU of 6pt3 by Molmil
Crystal structure of the active delta opioid receptor in complex with the small molecule agonist DPI-287
分子名称: 4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide, Delta opioid receptor
著者Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C.
登録日2019-07-14
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019

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