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9F5C
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BU of 9f5c by Molmil
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
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
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
9F5G
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BU of 9f5g by Molmil
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
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
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
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
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
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
9BJU
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BU of 9bju by Molmil
Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5
Descriptor: 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ...
Authors:Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A.
Deposit date:2024-04-25
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
8Z9H
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BU of 8z9h by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription elongation-reception conformation
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-23
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z9Q
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BU of 8z9q by Molmil
Cryo-EM structure of Thogoto virus polymerase in a replication reception conformation
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-23
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.33 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z9R
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BU of 8z9r by Molmil
Cryo-EM structure of Thogoto virus polymerase in a replication elongation-reception conformation
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-23
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z90
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BU of 8z90 by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription initiation conformation 2
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z98
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BU of 8z98 by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription reception conformation
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z8N
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BU of 8z8n by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 3
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z97
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BU of 8z97 by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription elongation conformation
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z8J
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BU of 8z8j by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 2
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z8X
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BU of 8z8x by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription initiation conformation
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
8Z85
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BU of 8z85 by Molmil
Cryo-EM structure of Thogoto virus polymerase in transcription pre-initiation conformation 1
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*AP*GP*AP*AP*AP*UP*CP*AP*AP*GP*GP*CP*AP*GP*UP*U)-3'), ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-21
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
9F1S
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BU of 9f1s by Molmil
Structure of UP1 S4ES6E phosphomimetic mutant
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-20
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of UP1 S4ES6E phosphomimetic mutant
To Be Published
8Z6G
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BU of 8z6g by Molmil
the AlgU-MucAcyto complex structure in Pseudomonas aeruginosa
Descriptor: Anti sigma-E RseA, N-terminal domain protein, RNA polymerase sigma factor
Authors:Li, T, Wang, Y.Z, Bao, R.
Deposit date:2024-04-19
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.10109687 Å)
Cite:the AlgU-MucAcyto complex structure in Pseudomonas aeruginosa
To Be Published
9BFY
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BU of 9bfy by Molmil
Tri-complex of Compound-12, KRAS G12C, and CypA
Descriptor: (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2024-04-18
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
9BG1
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BU of 9bg1 by Molmil
Tri-complex of Compound-3, KRAS G12V, and CypA
Descriptor: (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ...
Authors:Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
Deposit date:2024-04-18
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Tri-complex of Compound-3, KRAS G12V, and CypA
To be published
9BDW
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BU of 9bdw by Molmil
NF-kappaB RelA homo-dimer bound to GC-centric kappaB DNA
Descriptor: DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ...
Authors:Biswas, T, Shahabi, S, Tsodikov, O.V, Huang, D, Ghosh, G.
Deposit date:2024-04-12
Release date:2024-04-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024

221716

数据于2024-06-26公开中

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