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PDB: 185 results

7V36
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BU of 7v36 by Molmil
The complex structure of soBcmB and its intermediate product 2a
Descriptor: (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, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.96009171 Å)
Cite: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
Descriptor: (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, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.850011 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
7V2X
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BU of 7v2x by Molmil
The complex structure of soBcmB and its substrate 1
Descriptor: (3S,6S)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propyl]piperazine-2,5-dion, 2-OXOGLUTARIC ACID, FE (II) ION, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.08387423 Å)
Cite: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
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, FE (II) ION, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.83004665 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
5ZOL
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BU of 5zol by Molmil
Crystal structure of a three sites mutantion of FSAA complexed with HA and product
Descriptor: (3S,4S)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one, 1-hydroxypropan-2-one, CHLORIDE ION, ...
Authors:Wu, L, Yang, X.H, Yu, H.W, Zhou, J.H.
Deposit date:2018-04-13
Release date:2019-06-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.172 Å)
Cite:The engineering of decameric d-fructose-6-phosphate aldolase A by combinatorial modulation of inter- and intra-subunit interactions.
Chem.Commun.(Camb.), 56, 2020
6KW0
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BU of 6kw0 by Molmil
The structure of EanB/Y353F-Cys412-persulfide in tetrahedral intermediate state with ergothioneine
Descriptor: BROMIDE ION, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-09-05
Release date:2020-09-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of EanB/Y353F-Cys412-persulfide in tetrahedral intermediate state with ergothioneine
To Be Published
6KVY
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BU of 6kvy by Molmil
The structure of EanB/T414A complex with hercynine
Descriptor: CHLORIDE ION, MAGNESIUM ION, N,N,N-trimethyl-histidine, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-09-05
Release date:2020-09-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The structure of EanB/T414A complex with hercynine
To Be Published
6KTX
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BU of 6ktx by Molmil
The wildtype structure of EanB
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.189 Å)
Cite: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
6KVZ
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BU of 6kvz by Molmil
The structure of EanB/T414V complex with hercynine
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-09-05
Release date:2020-09-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The structure of EanB/T414V complex with hercynine
To Be Published
6KU1
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BU of 6ku1 by Molmil
The structure of EanB/Y353A complex with ergothioneine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-30
Release date:2020-08-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
6KVW
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BU of 6kvw by Molmil
The complex structure of EanB/C339A/C370A and hercynine
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-09-05
Release date:2020-09-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The complex structure of EanB/C339A/C370A and hercynine
To Be Published
8OHQ
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BU of 8ohq by Molmil
Crystal structure of human heparanase in complex with competitive inhibitor derrived from siastatin B
Descriptor: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, L, Davies, G.J, Overkleeft, H.S, Armstrong, Z, Yurong, C.
Deposit date:2023-03-21
Release date:2024-01-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
5YNG
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BU of 5yng by Molmil
Crystal structure of SZ348 in complex with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ...
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2017-10-24
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
6HZY
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BU of 6hzy by Molmil
Crystal structure of a bacterial fucosidase with inhibitor FucPUG
Descriptor: 1,2-ETHANEDIOL, Alpha-L-fucosidase, SULFATE ION, ...
Authors:Wu, L, Davies, G.J, Stubbs, K.A, Coyle, T, Debowski, A.W.
Deposit date:2018-10-24
Release date:2019-02-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthetic and Crystallographic Insight into Exploiting sp2Hybridization in the Development of alpha-l-Fucosidase Inhibitors.
Chembiochem, 20, 2019
6KTW
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BU of 6ktw by Molmil
structure of EanB with hercynine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.931 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-30
Release date:2020-08-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.34 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
4DGP
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BU of 4dgp by Molmil
The wild-type Src homology 2 (SH2)-domain containing protein tyrosine phosphatase-2 (SHP2)
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
Deposit date:2012-01-26
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
8CHS
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BU of 8chs by Molmil
Human heparan sulfate N-deacetylase-N-sulfotransferase 1 in complex with calcium, 3'-phosphoadenosine-5'-phosphosulfate and nanobody nAb13 (composite map and model).
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1, CALCIUM ION, ...
Authors:Mycroft-West, C.J, Wu, L.
Deposit date:2023-02-08
Release date:2024-02-21
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural and mechanistic characterization of bifunctional heparan sulfate N-deacetylase-N-sulfotransferase 1.
Nat Commun, 15, 2024
8CD0
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BU of 8cd0 by Molmil
Human heparan sulfate N-deacetylase-N-sulfotransferase 1 in complex with calcium, 3'-phosphoadenosine-5'-phosphosulfate, and nanobody nAb7 (composite map and model)
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1, CALCIUM ION, ...
Authors:Mycroft-West, C.J, Wu, L.
Deposit date:2023-01-29
Release date:2024-02-07
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Structural and mechanistic characterization of bifunctional heparan sulfate N-deacetylase-N-sulfotransferase 1.
Nat Commun, 15, 2024
8CCY
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BU of 8ccy by Molmil
Human heparan sulfate N-deacetylase-N-sulfotransferase 1 in complex with calcium and 3'-phosphoadenosine-5'-phosphosulfate
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1, CALCIUM ION
Authors:Mycroft-West, C.J, Wu, L.
Deposit date:2023-01-28
Release date:2024-02-07
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural and mechanistic characterization of bifunctional heparan sulfate N-deacetylase-N-sulfotransferase 1.
Nat Commun, 15, 2024
5GI4
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BU of 5gi4 by Molmil
DEAD-box RNA helicase
Descriptor: ATP-dependent RNA helicase DeaD
Authors:Xu, L, Wang, L, Li, F, Wu, L, Shi, Y.
Deposit date:2016-06-22
Release date:2017-05-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
6W25
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BU of 6w25 by Molmil
Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with SHU9119
Descriptor: CALCIUM ION, Melanocortin receptor 4,GlgA glycogen synthase,Melanocortin receptor 4, OLEIC ACID, ...
Authors:Yu, J, Gimenez, L.E, Hernandez, C.C, Wu, Y, Wein, A.H, Han, G.W, McClary, K, Mittal, S.R, Burdsall, K, Stauch, B, Wu, L, Stevens, S.N, Peisley, A, Williams, S.Y, Chen, V, Millhauser, G.L, Zhao, S, Cone, R.D, Stevens, R.C.
Deposit date:2020-03-04
Release date:2020-04-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Determination of the melanocortin-4 receptor structure identifies Ca2+as a cofactor for ligand binding.
Science, 368, 2020
6PT2
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BU of 6pt2 by Molmil
Crystal structure of the active delta opioid receptor in complex with the peptide agonist KGCHM07
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Delta opioid receptor, ...
Authors: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.
Deposit date:2019-07-14
Release date:2019-12-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019

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數據於2025-05-21公開中

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