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PDB: 183 results

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
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
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:2023-11-22
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
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
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The structure of EanB/T414A complex with hercynine
To Be Published
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
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of EanB/Y353F-Cys412-persulfide in tetrahedral intermediate state with ergothioneine
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
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:2023-11-22
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
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The complex structure of EanB/C339A/C370A and hercynine
To Be Published
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
7V3E
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BU of 7v3e by Molmil
The complex structure of soBcmB and its intermediate product 1a
Descriptor: (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, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The crystal structure of SoBcmB and its side way intermediate product
To Be Published
7V2U
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BU of 7v2u by Molmil
The complex structure of SoBcmB and its product 2f
Descriptor: (1S,5S,6S)-5-methyl-1-[(1S,2S)-2-methyl-1,2,3-tris(oxidanyl)propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-09
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.00009918 Å)
Cite:The complex structure of SoBcmB and its product 2f
To Be Published
7V34
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BU of 7v34 by Molmil
The complex structure of soBcmB and its product 1d
Descriptor: (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, ...
Authors:Wu, L, Zhou, J.H.
Deposit date:2021-08-10
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.000169 Å)
Cite:The complex structure of SoBcmB and its side way product
To Be Published
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:2023-11-29
Method:X-RAY DIFFRACTION (1.96009171 Å)
Cite:The complex structure of SoBcmB and its intermediate product
To Be Published
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:2023-11-29
Method:X-RAY DIFFRACTION (1.850011 Å)
Cite:The complex structure of SoBcmB mutant D307A and its substrate
To Be Published
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:2023-11-29
Method:X-RAY DIFFRACTION (2.08387423 Å)
Cite:The crystal structure of SoBcmB and its side way substrate
To Be Published
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
Method:X-RAY DIFFRACTION (1.83004665 Å)
Cite:The apo structure of SoBcmB with Fe(II)
To Be Published
5U3O
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BU of 5u3o by Molmil
Crystal Structure of DH511.2_K3 Fab in Complex with HIV-1 gp41 MPER Peptide
Descriptor: DH511.2_K3 Fab Heavy Chain, DH511.2_K3 Fab Light Chain, gp41 MPER peptide
Authors:Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F.
Deposit date:2016-12-02
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
5U3K
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BU of 5u3k by Molmil
Crystal Structure of DH511.2 Fab in Complex with HIV-1 gp41 MPER 662-683 Peptide
Descriptor: CALCIUM ION, CHLORIDE ION, DH511.2 Fab Heavy Chain, ...
Authors:Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F.
Deposit date:2016-12-02
Release date:2017-02-15
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.637 Å)
Cite:Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
5U3N
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BU of 5u3n by Molmil
Crystal Structure of DH511.12P Fab in Complex with HIV-1 gp41 MPER Peptide
Descriptor: DH511.12P Fab Heavy Chain, DH511.12P Fab Light Chain, gp41 MPER peptide
Authors:Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F.
Deposit date:2016-12-02
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
5U3M
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BU of 5u3m by Molmil
Crystal Structure of DH511.11P Fab in Complex with HIV-1 gp41 MPER Peptide
Descriptor: DH511.11P Fab Heavy Chain, DH511.11P Fab Light Chain, gp41 MPER peptide
Authors:Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F.
Deposit date:2016-12-02
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.418 Å)
Cite:Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
6BRG
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BU of 6brg by Molmil
The SAM domain of mouse SAMHD1 is critical for its activation and regulation
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, MAGNESIUM ION
Authors:Buzovetsky, O, Tang, C, Knecht, K.M, Antonucci, J.M, Wu, L, Ji, X, Xiong, Y.
Deposit date:2017-11-30
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The SAM domain of mouse SAMHD1 is critical for its activation and regulation.
Nat Commun, 9, 2018
5FJS
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BU of 5fjs by Molmil
Bacterial beta-glucosidase reveals the structural and functional basis of genetic defects in human glucocerebrosidase 2 (GBA2)
Descriptor: CALCIUM ION, GLUCOSYLCERAMIDASE
Authors:Charoenwattanasatien, R, Pengthaisong, S, Breen, I, Mutoha, R, Sansenya, S, Hua, Y, Tankrathok, A, Wu, L, Songsiriritthigul, C, Tanaka, H, Williams, S.J, Davies, G.J, Kurisu, G, Ketudat Cairns, J.R.
Deposit date:2015-10-12
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Bacterial Beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (Gba2)
Acs Chem.Biol., 11, 2016
5G0M
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BU of 5g0m by Molmil
beta-glucuronidase with an activity-based probe (N-acyl cyclophellitol aziridine) bound
Descriptor: (1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate, BETA-GLUCURONIDASE, PHOSPHATE ION
Authors:Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J.
Deposit date:2016-03-21
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Structure of a Bacteria Beta-Glucuronidase in Gh79 Family
To be Published

221716

PDB entries from 2024-06-26

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