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9BUN
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BU of 9bun by Molmil
RhoBAST aptamer RNA in complex with 5(6)-carboxytetramethylrhodamine
Descriptor: 5-carboxy methylrhodamine, IRIDIUM HEXAMMINE ION, RNA (48-MER)
Authors:Batey, R.T, Siwik, S.H.
Deposit date:2024-05-17
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of RhoBAST RNA aptamer in complex with 5(6)-carboxytetramethylrhodamine (TAMRA)
To Be Published
9FA4
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BU of 9fa4 by Molmil
Structure of the Integrator arm module containing subunits INTS10/13/14/15 (state 1)
Descriptor: Integrator complex subunit 10, Integrator complex subunit 13, Integrator complex subunit 14, ...
Authors:Razew, M, Galej, W.P.
Deposit date:2024-05-10
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of the Integrator complex assembly and association with transcription factors.
Mol.Cell, 2024
9FA7
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BU of 9fa7 by Molmil
Structure of the Integrator arm module containing subunits INTS10/13/14/15 (state 3)
Descriptor: Integrator complex subunit 10, Integrator complex subunit 13, Integrator complex subunit 14, ...
Authors:Razew, M, Galej, W.P.
Deposit date:2024-05-10
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of the Integrator complex assembly and association with transcription factors.
Mol.Cell, 2024
9BOL
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BU of 9bol by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
Descriptor: (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
Deposit date:2024-05-03
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
9F7H
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BU of 9f7h by Molmil
UP1 in complex with Z45617795
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(2-phenylethyl)methanesulfonamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-05-03
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F7F
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BU of 9f7f by Molmil
UP1 in complex with Z1491353358
Descriptor: (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-05-03
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F5K
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BU of 9f5k by Molmil
UP1 in complex with Z33546965
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-29
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F4O
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BU of 9f4o by Molmil
UP1 in complex with Z991506900
Descriptor: (3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F55
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BU of 9f55 by Molmil
UP1 in complex with Z235361315
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(3-azanyl-2-methyl-phenyl)propanamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F4K
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BU of 9f4k by Molmil
UP1 in complex with ZINC72259689
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F4Q
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BU of 9f4q by Molmil
UP1 in complex with Z641239276
Descriptor: 5-(2-phenylethylamino)pyrimidine-2,4-diol, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F51
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BU of 9f51 by Molmil
UP1 in complex with Z608065044
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F5D
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BU of 9f5d by Molmil
UP1 in complex with Z641230552
Descriptor: 5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F4N
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BU of 9f4n by Molmil
UP1 in complex with Z137811222
Descriptor: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F4T
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BU of 9f4t by Molmil
UP1 in complex with EN300-805013
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(4-methoxyphenyl)glycinamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F4X
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BU of 9f4x by Molmil
UP1 in complex with Z1220452176
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F5E
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BU of 9f5e by Molmil
UP1 in complex with Z30820160
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(4-methyl-1,3-thiazol-2-yl)propanamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F4R
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BU of 9f4r by Molmil
UP1 in complex with Z802821712
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-6-methylpyridazin-3-amine
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F4J
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BU of 9f4j by Molmil
UP1 in complex with Z416341642
Descriptor: (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F4Z
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BU of 9f4z by Molmil
UP1 in complex with Z57040482
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(2-hydroxyphenyl)acetamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F4L
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BU of 9f4l by Molmil
UP1 in complex with Z104584152
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N,N-dimethyl-N~2~-phenylglycinamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F4W
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BU of 9f4w by Molmil
UP1 in complex with Z54508609
Descriptor: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F4Y
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BU of 9f4y by Molmil
UP1 in complex with Z90120418
Descriptor: 1-(3,4,5-trimethoxyphenyl)methanamine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F50
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BU of 9f50 by Molmil
UP1 in complex with Z906021418
Descriptor: 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
9F53
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BU of 9f53 by Molmil
UP1 in complex with Z237527902
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(5-methyl-1H-pyrazol-3-yl)acetamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published

221051

数据于2024-06-12公开中

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