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9OER
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BU of 9oer by Molmil
HalA with lysine, Fe(II), chloride, and a peroxyhemiketal intermediate
Descriptor: (2S)-2-hydroperoxy-2-hydroxypentanedioic acid, (4R)-4-chloro-L-lysine, 2-OXOGLUTARIC ACID, ...
Authors:Kissman, E.N, Yang, A.Y, Chang, M.C.Y.
Deposit date:2025-04-29
Release date:2025-11-19
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Dynamic metal coordination controls chemoselectivity in a radical halogenase
To Be Published
9OES
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BU of 9oes by Molmil
HalA with lysine, succinate, chloride, and vanadium(IV)-oxo at pH 4.2
Descriptor: CHLORIDE ION, CITRATE ANION, LYSINE, ...
Authors:Kissman, E.N, Chang, M.C.Y.
Deposit date:2025-04-29
Release date:2025-11-19
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Dynamic metal coordination controls chemoselectivity in a radical halogenase
To Be Published
9OET
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BU of 9oet by Molmil
Hydrox with succinate and vanadium(IV)-oxo
Descriptor: Lysine hydroxylase, SUCCINIC ACID, oxovanadium(2+)
Authors:Kissman, E.N, Yang, A.Y, Whitten, A.M, Chang, M.C.Y.
Deposit date:2025-04-29
Release date:2025-11-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dynamic metal coordination controls chemoselectivity in a radical halogenase
To Be Published
9OEU
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BU of 9oeu by Molmil
HalA with lysine, succinate, chloride, and vanadium(IV)-oxo at pH 7
Descriptor: CHLORIDE ION, LYSINE, Lysine halogenase, ...
Authors:Kissman, E.N, Stone, E.A, Chang, M.C.Y.
Deposit date:2025-04-29
Release date:2025-11-19
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Dynamic metal coordination controls chemoselectivity in a radical halogenase
To Be Published
9OEV
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BU of 9oev by Molmil
HalA I151N with lysine, succinate, chloride, and vanadium(IV)-oxo
Descriptor: CHLORIDE ION, LYSINE, Lysine halogenase, ...
Authors:Kissman, E.N, Chang, M.C.Y.
Deposit date:2025-04-29
Release date:2025-11-19
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Dynamic metal coordination controls chemoselectivity in a radical halogenase
To Be Published
9OEW
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BU of 9oew by Molmil
HalA N224V with lysine, succinate, chloride, and vanadium(IV)-oxo
Descriptor: CHLORIDE ION, LYSINE, Lysine halogenase, ...
Authors:Kissman, E.N, Stone, E.A, Chang, M.C.Y.
Deposit date:2025-04-29
Release date:2025-11-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dynamic metal coordination controls chemoselectivity in a radical halogenase
To Be Published
9OHT
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BU of 9oht by Molmil
CD1c presenting GD3 ganglioside
Descriptor: (2R,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-L-glycero-beta-L-altro-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, (2S)-2,3-dihydroxypropyl heptadecanoate, 2-(cyclohexylazaniumyl)ethanesulfonate, ...
Authors:Cao, T.P, Rossjohn, J, Shahine, A.
Deposit date:2025-05-05
Release date:2025-11-19
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:CD1c presenting GD3 ganglioside
To Be Published
9OHU
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BU of 9ohu by Molmil
CD1c presenting GM3 ganglioside
Descriptor: (2R,3S,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, (2S)-2,3-dihydroxypropyl heptadecanoate, 2-(cyclohexylazaniumyl)ethanesulfonate, ...
Authors:Cao, T.P, Rossjohn, J, Shahine, A.
Deposit date:2025-05-05
Release date:2025-11-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CD1c presenting GM3 ganglioside
To Be Published
9OHV
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BU of 9ohv by Molmil
CD1c presenting dual lipids MPM and GD3 ganglioside
Descriptor: (2R,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-L-glycero-beta-L-altro-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, 1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose, 2-(cyclohexylazaniumyl)ethanesulfonate, ...
Authors:Cao, T.P, Rossjohn, J, Shahine, A.
Deposit date:2025-05-05
Release date:2025-11-19
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:CD1c presenting dual lipids MPM and GD3 ganglioside
To Be Published
9OHW
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BU of 9ohw by Molmil
CD1c presenting GM1 ganglioside
Descriptor: (2R,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-L-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, 1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose, 2-(cyclohexylazaniumyl)ethanesulfonate, ...
Authors:Cao, T.P, Rossjohn, J, Shahine, A.
Deposit date:2025-05-05
Release date:2025-11-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:CD1c presenting GM1 ganglioside
To Be Published
9OHX
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BU of 9ohx by Molmil
CD1c presenting endogenous lipids
Descriptor: (2R)-2,3-dihydroxypropyl hexadecanoate, 2-(cyclohexylazaniumyl)ethanesulfonate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Liao, G, Cao, T.P, Rossjohn, J, Shahine, A.
Deposit date:2025-05-05
Release date:2025-11-19
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:CD1c presenting endogenous lipids
To Be Published
9OHY
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BU of 9ohy by Molmil
CD1c presenting phosphomycoketide in its open conformation
Descriptor: (4S,8S,12R,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate, 2-(cyclohexylazaniumyl)ethanesulfonate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cao, T.P, Rossjohn, J, Shahine, A.
Deposit date:2025-05-05
Release date:2025-11-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CD1c presenting phosphomycoketide in its open conformation
To Be Published
9OHZ
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BU of 9ohz by Molmil
Crystal structure of CD1a presenting ganglioside GD3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, N-{(2S,3R)-1-[(4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}tetracosanamide, ...
Authors:Cao, T.P, Ciacchi, L, Rossjohn, J, Shahine, A.
Deposit date:2025-05-05
Release date:2025-11-19
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of CD1a presenting ganglioside GD3
To Be Published
9OI0
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BU of 9oi0 by Molmil
Crystal structure of CD1b presenting ganglioside GD3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Chen, Y, Cao, T.P, Farquhar, R, Rossjohn, J, Shahine, A.
Deposit date:2025-05-05
Release date:2025-11-19
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structure of CD1b presenting ganglioside GD3
To Be Published
9OQ1
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BU of 9oq1 by Molmil
Structure of the sweet receptor bound to sucralose in the loose state, extracellular domain
Descriptor: 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Taste receptor type 1 member 2, Taste receptor type 1 member 3
Authors:Wang, H, Chen, X, Dai, Y, Lee, C.H.
Deposit date:2025-05-20
Release date:2025-11-19
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structure and activation mechanism of human sweet taste receptor.
Cell Res., 35, 2025
9OSO
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BU of 9oso by Molmil
The specificity and structure of DNA crosslinking by a gut bacterial genotoxin
Descriptor: DNA-COLIBACTIN, N-({4-[(2R)-2-amino-2-{4-[(2-{(4Z)-2-methyl-4-[(5S)-5-methylpyrrolidin-2-ylidene]-5-oxo-4,5-dihydro-1H-pyrrol-3-yl}acetamido)acetyl]-1,3-thiazol-2-yl}acetyl]-1,3-thiazol-2-yl}methyl)-2-{(4Z)-2-methyl-4-[(5S)-5-methylpyrrolidin-2-ylidene]-5-oxo-4,5-dihydro-1H-pyrrol-3-yl}acetamide
Authors:D'Souza, V.D, Balskus, E.P.
Deposit date:2025-05-25
Release date:2025-11-19
Method:SOLUTION NMR
Cite:The specificity and structure of DNA cross-linking by the gut bacterial genotoxin colibactin
Science, 2025
9OTY
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BU of 9oty by Molmil
DDB1-CRBN with CK1 alpha, SB-405483, and DEG-47: composite map and model submission
Descriptor: Casein kinase I isoform alpha, DNA damage-binding protein 1, N-[3-(benzyloxy)pyridin-2-yl]-N'-(4-cyano-2-hydroxyphenyl)urea, ...
Authors:Rizvi, Z, Lander, G.C.
Deposit date:2025-05-27
Release date:2025-11-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Identification of a cryptic allosteric site on the E3 ligase adapter protein cereblon
To Be Published
9OUL
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BU of 9oul by Molmil
DDB1-CRBN with Ikaros(ZF2), SB-405483, and DEG-47: composite map and model submission
Descriptor: DNA damage-binding protein 1, N-[3-(benzyloxy)pyridin-2-yl]-N'-(4-cyano-2-hydroxyphenyl)urea, N-{2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}benzamide, ...
Authors:Rizvi, Z, Lander, G.C.
Deposit date:2025-05-28
Release date:2025-11-19
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Identification of a cryptic allosteric site on the E3 ligase adapter protein cereblon
To Be Published
9P1I
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BU of 9p1i by Molmil
Atomic structure of vibrio effector fragment VopV bound to Beta-cytoplasmic/gamma1-cytoplasmic F-actin
Descriptor: Actin, cytoplasmic 1, MAGNESIUM ION, ...
Authors:Kreutzberger, M.A, Kudryashova, E, Egelman, E.H, Kudryashov, D.S.
Deposit date:2025-06-10
Release date:2025-11-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Actin isoform-specific interactions revealed by Vibrio VopV actin-binding repeat
Proc.Natl.Acad.Sci.USA, 2025
9P3D
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BU of 9p3d by Molmil
cryo-EM structure of Vibrio effector VopV fragment bound to skeletal alpha F-actin
Descriptor: Actin, alpha skeletal muscle, MAGNESIUM ION, ...
Authors:Kreutzberger, M.A, Kudryashova, E, Egelman, E.H, Kudryashov, D.S.
Deposit date:2025-06-13
Release date:2025-11-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Actin isoform-specific interactions revealed by Vibrio VopV actin-binding repeat
Proc.Natl.Acad.Sci.USA, 2025
9P92
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BU of 9p92 by Molmil
Cryo-EM structure of the PAC1nR-VIP-Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Piper, S.J, Lu, J, Sexton, P, Wootten, D.
Deposit date:2025-06-24
Release date:2025-11-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of modified ligand selectivity from N-terminal PAC1R alternative splicing.
To Be Published
9P93
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BU of 9p93 by Molmil
Cryo-EM structure of the PAC1sR-VIP-Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Piper, S.J, Lu, J, Sexton, P, Wootten, D.
Deposit date:2025-06-24
Release date:2025-11-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:TBD Structural basis of modified ligand selectivity from N-terminal PAC1R alternative splicing.
To Be Published
9P94
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BU of 9p94 by Molmil
Cryo-EM structure of the PAC1sR-PACAP27-Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Piper, S.J, Sexton, P, Wootten, D.
Deposit date:2025-06-24
Release date:2025-11-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:TBD Structural basis of modified ligand selectivity from N-terminal PAC1R alternative splicing.
To Be Published
9P9U
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BU of 9p9u by Molmil
EGFR-KDD with compound2
Descriptor: 3-(furan-2-yl)-N-[5-(furan-2-yl)-2-methoxyphenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Epidermal growth factor receptor
Authors:Long, H, Zaritza, O.P, Mark, A.L.
Deposit date:2025-06-24
Release date:2025-11-19
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:EGFR-KDD with compound2
To Be Published
9P9V
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BU of 9p9v by Molmil
Human ClpX initial assembly
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent clpX-like chaperone, mitochondrial
Authors:Chen, W.C.
Deposit date:2025-06-24
Release date:2025-11-19
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Assembly and proteolytic activation human ClpXP defined by cryo-EM
To Be Published

245011

数据于2025-11-19公开中

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