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5CGP
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BU of 5cgp by Molmil
Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons
Descriptor: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, CREB-binding protein
Authors:Chekler, E.L, Jones, L.H.
Deposit date:2015-07-09
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Transcriptional Profiling of a Selective CREB Binding Protein Bromodomain Inhibitor Highlights Therapeutic Opportunities.
Chem.Biol., 22, 2015
6B69
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BU of 6b69 by Molmil
Beta-Lactamase, 500ms timepoint, mixed, shards crystal form
Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, ...
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6D
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BU of 6b6d by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms
Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B5X
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BU of 6b5x by Molmil
Beta-Lactamase, unmixed shards crystal form
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Pandey, S.
Deposit date:2017-09-29
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6F
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BU of 6b6f by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 2sec
Descriptor: Beta-lactamase, Ceftriaxone
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B5Y
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BU of 6b5y by Molmil
Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form
Descriptor: Beta-lactamase, Ceftriaxone, PHOSPHATE ION
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-09-29
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6B
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BU of 6b6b by Molmil
Beta-Lactamase, unmixed needles crystal form
Descriptor: Beta-lactamase
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6C
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BU of 6b6c by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 30ms
Descriptor: Beta-lactamase, Ceftriaxone
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6A
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BU of 6b6a by Molmil
Beta-Lactamase, 2secs timepoint, mixed, shards crystal form
Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6E
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BU of 6b6e by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms
Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B68
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BU of 6b68 by Molmil
Beta-Lactamase, 100ms timepoint, mixed, shards crystal form
Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
7QZ1
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BU of 7qz1 by Molmil
Formate dehydrogenase from Starkeya novella
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Formate dehydrogenase, ...
Authors:Pontillo, N, Slotboom, D.J, Guskov, A.
Deposit date:2022-01-30
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and structural insight into the chemical resistance and cofactor specificity of the formate dehydrogenase from Starkeya novella.
Febs J., 290, 2023
6G76
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BU of 6g76 by Molmil
Phosphorylated RSK4 N-terminal Kinase Domain in complex with AMP-PNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION
Authors:Prischi, F, Ali, M.M.
Deposit date:2018-04-04
Release date:2019-04-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer.
Sci Transl Med, 13, 2021
6G78
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BU of 6g78 by Molmil
RSK4 N-terminal Kinase Domain S232E in complex with AMP-PNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6
Authors:Prischi, F, Ali, M.M.
Deposit date:2018-04-04
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer.
Sci Transl Med, 13, 2021
6G77
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BU of 6g77 by Molmil
RSK4 N-terminal Kinase Domain in complex with AMP-PNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION
Authors:Prischi, F, Ali, M.M.
Deposit date:2018-04-04
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer.
Sci Transl Med, 13, 2021
8OQ2
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BU of 8oq2 by Molmil
Binding of NADP to a formate dehydrogenase from Starkeya novella.
Descriptor: AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Partipilo, M, Whittaker, J.J, Pontillo, N, Guskov, A, Slotboom, D.J.
Deposit date:2023-04-10
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Binding of NADP to a formate dehydrogenase from Starkeya novella.
To Be Published
8ADG
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BU of 8adg by Molmil
Cryo-EM structure of Darobactin 22 bound BAM complex
Descriptor: Darobactin 22, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
Authors:Yuan, B, Marlovits, T.C.
Deposit date:2022-07-08
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Darobactins Exhibiting Superior Antibiotic Activity by Cryo-EM Structure Guided Biosynthetic Engineering.
Angew.Chem.Int.Ed.Engl., 62, 2023
8ADI
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BU of 8adi by Molmil
Cryo-EM structure of Darobactin 9 bound BAM complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Yuan, B, Marlovits, T.C.
Deposit date:2022-07-08
Release date:2023-01-11
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Darobactins Exhibiting Superior Antibiotic Activity by Cryo-EM Structure Guided Biosynthetic Engineering.
Angew.Chem.Int.Ed.Engl., 62, 2023
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數據於2025-07-09公開中

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