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9F4S
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BU of 9f4s by Molmil
UP1 in complex with Z56880342
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea
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
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
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
9F4P
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BU of 9f4p by Molmil
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
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
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
9F4M
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BU of 9f4m by Molmil
UP1 in complex with Z1401276297
Descriptor: (5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.39 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
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
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
9F4H
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BU of 9f4h by Molmil
UP1 in complex with Z106579662
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
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
9F4G
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BU of 9f4g by Molmil
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
9F4F
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BU of 9f4f by Molmil
UP1 in complex with Z86417414
Descriptor: 2-fluoranyl-~{N}-(1,3,4-thiadiazol-2-yl)benzamide, 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
9F4E
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BU of 9f4e by Molmil
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
9F4D
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BU of 9f4d by Molmil
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
9F48
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BU of 9f48 by Molmil
KS + AT di-domain of polyketide synthase 13 in Mycobacterium tuberculosis
Descriptor: Polyketide synthase Pks13
Authors:Johnston, H.E, Futterer, K.
Deposit date:2024-04-26
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:CryoEM structure of the di-domain core of Mycobacterium tuberculosis polyketide synthase 13, essential for mycobacterial mycolic acid synthesis
To be published
9F45
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BU of 9f45 by Molmil
cryo-EM structure of human LST2 bound to human mTOR complex 1
Descriptor: INOSITOL HEXAKISPHOSPHATE, Lateral signaling target protein 2 homolog, Regulatory-associated protein of mTOR, ...
Authors:Craigie, L.M, Maier, T.
Deposit date:2024-04-26
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:mTORC1 phosphorylates and stabilizes LST2 to negatively regulate EGFR.
Proc.Natl.Acad.Sci.USA, 121, 2024
9F44
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BU of 9f44 by Molmil
cryo-EM structure of LST2 TOS peptide bound to human mTOR complex 1
Descriptor: INOSITOL HEXAKISPHOSPHATE, Lateral signaling target protein 2 homolog, Regulatory-associated protein of mTOR, ...
Authors:Craigie, L.M, Maier, T.
Deposit date:2024-04-26
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:mTORC1 phosphorylates and stabilizes LST2 to negatively regulate EGFR.
Proc.Natl.Acad.Sci.USA, 121, 2024
9F43
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BU of 9f43 by Molmil
cryo-EM structure of human LST2 bound to human mTOR complex 1, focused on RAPTOR
Descriptor: Lateral signaling target protein 2 homolog, Regulatory-associated protein of mTOR
Authors:Craigie, L.M, Maier, T.
Deposit date:2024-04-26
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:mTORC1 phosphorylates and stabilizes LST2 to negatively regulate EGFR.
Proc.Natl.Acad.Sci.USA, 121, 2024
9F42
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BU of 9f42 by Molmil
cryo-EM structure of LST2 TOS peptide bound to human mTOR complex 1, focused on RAPTOR
Descriptor: Lateral signaling target protein 2 homolog, Regulatory-associated protein of mTOR
Authors:Craigie, L.M, Maier, T.
Deposit date:2024-04-26
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:mTORC1 phosphorylates and stabilizes LST2 to negatively regulate EGFR.
Proc.Natl.Acad.Sci.USA, 121, 2024
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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHOLESTEROL, DI(HYDROXYETHYL)ETHER, ...
Authors:Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite: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
Descriptor: ACETONITRILE, DI(HYDROXYETHYL)ETHER, ERGOSTEROL, ...
Authors:Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
9F3Z
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BU of 9f3z by Molmil
Psychrophilic laccase (multicopper oxidase) from Oenococcus oeni 229 with Histag
Descriptor: COPPER (II) ION, Multicopper oxidase
Authors:Paredes, F, Casino, P.
Deposit date:2024-04-26
Release date:2024-08-07
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Biochemical and Structural Characterization of a Novel Psychrophilic Laccase (Multicopper Oxidase) Discovered from Oenococcus oeni 229 (ENOLAB 4002).
Int J Mol Sci, 25, 2024
9F3Y
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BU of 9f3y by Molmil
CutC choline lyase in complex with difluorocholine
Descriptor: Choline trimethylamine-lyase, difluorocholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: Choline trimethylamine-lyase, cyclopropylcholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CutC choline lyase in complex with fluoromethylcholine
To Be Published

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数据于2024-09-11公开中

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