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9F4W
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BU of 9f4w by Molmil
UP1 in complex with Z54508609
分子名称: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
9F4V
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BU of 9f4v by Molmil
UP1 in complex with EN300-118084
分子名称: 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
9F4U
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BU of 9f4u by Molmil
UP1 in complex with Z111529496
分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(4-methoxyphenyl)glycinamide
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献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
9F4S
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BU of 9f4s by Molmil
UP1 in complex with Z56880342
分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-6-methylpyridazin-3-amine
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献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
分子名称: 5-(2-phenylethylamino)pyrimidine-2,4-diol, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
9F4P
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BU of 9f4p by Molmil
UP1 in complex with Z1217960891
分子名称: (3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: (3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
9F4M
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BU of 9f4m by Molmil
UP1 in complex with Z1401276297
分子名称: (5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献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
分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N,N-dimethyl-N~2~-phenylglycinamide
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-04-28
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
9F4H
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BU of 9f4h by Molmil
UP1 in complex with Z106579662
分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
著者Dunnett, L, Prischi, F.
登録日2024-04-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
9F4G
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BU of 9f4g by Molmil
UP1 in complex with Z1373445602
分子名称: 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-04-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
9F4F
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BU of 9f4f by Molmil
UP1 in complex with Z86417414
分子名称: 2-fluoranyl-~{N}-(1,3,4-thiadiazol-2-yl)benzamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-04-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
9F4E
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BU of 9f4e by Molmil
UP1 in complex with Z1152242726
分子名称: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea
著者Dunnett, L, Prischi, F.
登録日2024-04-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献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
9F4D
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BU of 9f4d by Molmil
UP1 in complex with Z1203107138
分子名称: 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
著者Dunnett, L, Prischi, F.
登録日2024-04-27
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
9F48
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BU of 9f48 by Molmil
KS + AT di-domain of polyketide synthase 13 in Mycobacterium tuberculosis
分子名称: Polyketide synthase Pks13
著者Johnston, H.E, Futterer, K.
登録日2024-04-26
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献CryoEM structure of the di-domain core of Mycobacterium tuberculosis polyketide synthase 13, essential for mycobacterial mycolic acid synthesis
To be published
9F41
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BU of 9f41 by Molmil
Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with cholesterol bound
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ...
著者Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
9F40
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BU of 9f40 by Molmil
Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with ergosterol bound
分子名称: ACETONITRILE, DI(HYDROXYETHYL)ETHER, ERGOSTEROL, ...
著者Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
9F3Y
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BU of 9f3y by Molmil
CutC choline lyase in complex with difluorocholine
分子名称: Choline trimethylamine-lyase, difluorocholine
著者Kalnins, G.
登録日2024-04-26
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献CutC choline lyase in complex with difluorocholine
To Be Published
9F3X
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BU of 9f3x by Molmil
CutC choline lyase in complex with cyclopropylcholine
分子名称: Choline trimethylamine-lyase, cyclopropylcholine
著者Kalnins, G.
登録日2024-04-26
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CutC choline lyase in complex with fluoromethylcholine
To Be Published
9F3W
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BU of 9f3w by Molmil
CutC choline lyase in complex with fluoromethylcholine
分子名称: Choline trimethylamine-lyase, fluoromethylcholine
著者Kalnins, G.
登録日2024-04-26
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CutC choline lyase in complex with fluoromethylcholine
To Be Published

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件を2024-06-05に公開中

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