6G78
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![BU of 6g78 by Molmil](/molmil-images/mine/6g78) | 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
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6G77
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![BU of 6g77 by Molmil](/molmil-images/mine/6g77) | 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
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6G76
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![BU of 6g76 by Molmil](/molmil-images/mine/6g76) | |
9GEA
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![BU of 9gea by Molmil](/molmil-images/mine/9gea) | |
4YZS
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![BU of 4yzs by Molmil](/molmil-images/mine/4yzs) | |
4YZY
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![BU of 4yzy by Molmil](/molmil-images/mine/4yzy) | |
8RZV
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![BU of 8rzv by Molmil](/molmil-images/mine/8rzv) | |
9F5C
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![BU of 9f5c by Molmil](/molmil-images/mine/9f5c) | UP1 in complex with Z198195770 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-[3-(carbamoylamino)phenyl]acetamide | 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
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9F4V
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![BU of 9f4v by Molmil](/molmil-images/mine/9f4v) | UP1 in complex with EN300-118084 | Descriptor: | 3-(difluoromethyl)-1-methyl-1H-pyrazole-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 (1.4 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
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9F4Z
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![BU of 9f4z by Molmil](/molmil-images/mine/9f4z) | 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
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9F4W
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![BU of 9f4w by Molmil](/molmil-images/mine/9f4w) | 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
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9F5G
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![BU of 9f5g by Molmil](/molmil-images/mine/9f5g) | UP1 in complex with EN300-115958 | Descriptor: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]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 (1.8 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
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9F4J
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![BU of 9f4j by Molmil](/molmil-images/mine/9f4j) | 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
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9F5E
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![BU of 9f5e by Molmil](/molmil-images/mine/9f5e) | 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
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9F4L
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![BU of 9f4l by Molmil](/molmil-images/mine/9f4l) | 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
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9F53
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![BU of 9f53 by Molmil](/molmil-images/mine/9f53) | 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
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9F4X
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![BU of 9f4x by Molmil](/molmil-images/mine/9f4x) | 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
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9F4E
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![BU of 9f4e by Molmil](/molmil-images/mine/9f4e) | UP1 in complex with Z1152242726 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-27 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.57 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
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9F5F
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![BU of 9f5f by Molmil](/molmil-images/mine/9f5f) | UP1 in complex with Z992569480 | Descriptor: | (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine, 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
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9F4D
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![BU of 9f4d by Molmil](/molmil-images/mine/9f4d) | UP1 in complex with Z1203107138 | Descriptor: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-27 | 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
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9F4N
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![BU of 9f4n by Molmil](/molmil-images/mine/9f4n) | 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
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9F4G
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![BU of 9f4g by Molmil](/molmil-images/mine/9f4g) | UP1 in complex with Z1373445602 | Descriptor: | 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-27 | 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
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9F4U
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![BU of 9f4u by Molmil](/molmil-images/mine/9f4u) | UP1 in complex with Z111529496 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide | 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
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9F54
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![BU of 9f54 by Molmil](/molmil-images/mine/9f54) | UP1 in complex with EN300-197154 | Descriptor: | 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-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 (1.7 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
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9F4P
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![BU of 9f4p by Molmil](/molmil-images/mine/9f4p) | UP1 in complex with Z1217960891 | Descriptor: | (3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-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
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