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5OR0
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BU of 5or0 by Molmil
NMR derived model of the 5'-splice site of SMN2 in complex with the 5'-end of U1 snRNA
Descriptor: RNA (5'-R(P*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3')
Authors:Campagne, S, Clery, A, Allain, F.H.
Deposit date:2017-08-14
Release date:2017-08-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Binding to SMN2 pre-mRNA-protein complex elicits specificity for small molecule splicing modifiers.
Nat Commun, 8, 2017
6HMO
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BU of 6hmo by Molmil
Solution structure of the RNA duplex formed by the 5'-end of U1snRNA and the 5'-splice site of SMN2 exon7 in complex with the SMN-C5 splicing modifier
Descriptor: 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one, RNA (5'-R(*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3')
Authors:Campagne, S, Allain, F.H.
Deposit date:2018-09-12
Release date:2019-08-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of a small molecule targeting RNA for a specific splicing correction.
Nat.Chem.Biol., 15, 2019
6HMI
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BU of 6hmi by Molmil
Solution structure of the RNA duplex formed by the 5'-end of U1snRNA and the 5'-splice site of SMN2 exon7
Descriptor: RNA (5'-R(*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3')
Authors:Campagne, S, Allain, F.H.
Deposit date:2018-09-12
Release date:2019-08-14
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural basis of a small molecule targeting RNA for a specific splicing correction.
Nat.Chem.Biol., 15, 2019
7G3R
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BU of 7g3r by Molmil
Crystal Structure of rat Autotaxin in complex with 5-tert-butyl-2-methyl-4-[(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methoxy]benzonitrile, i.e. SMILES O=C1NN=C(CC1)COc1cc(C)c(C#N)cc1C(C)(C)C with IC50=0.0299365 microM
Descriptor: 5-tert-butyl-2-methyl-4-[(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)methoxy]benzonitrile, ACETATE ION, CALCIUM ION, ...
Authors:Stihle, M, Benz, J, Hunziker, D, Ratni, H, Rudolph, M.G.
Deposit date:2023-06-05
Release date:2024-12-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal Structure of a rat Autotaxin complex
To be published
7G3G
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BU of 7g3g by Molmil
Crystal Structure of rat Autotaxin in complex with 5-tert-butyl-2-methyl-4-[(2-oxo-1H-pyridin-3-yl)methoxy]benzonitrile, i.e. SMILES N#Cc1cc(C(C)(C)C)c(OCC2=CC=CNC2=O)cc1C with IC50=0.0896883 microM
Descriptor: 5-tert-butyl-2-methyl-4-[(2-oxo-1,2-dihydropyridin-3-yl)methoxy]benzonitrile, ACETATE ION, CALCIUM ION, ...
Authors:Stihle, M, Benz, J, Hunziker, D, Ratni, H, Rudolph, M.G.
Deposit date:2023-06-05
Release date:2024-12-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal Structure of a rat Autotaxin complex
To be published
7G68
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BU of 7g68 by Molmil
Crystal Structure of rat Autotaxin in complex with 2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-5-methylindol-1-yl]-N,N-dimethylacetamide, i.e. SMILES C1(=CN(c2c1cc(c(c2)Cl)C)CC(=O)N(C)C)C(=O)N1CC[C@@H](c2c(OC)cccc2)CC1 with IC50=1.09041 microM
Descriptor: 2-{6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1H-indol-1-yl}-N,N-dimethylacetamide, ACETATE ION, CALCIUM ION, ...
Authors:Stihle, M, Benz, J, Hunziker, D, Ratni, H, Rudolph, M.G.
Deposit date:2023-06-05
Release date:2024-12-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of a rat Autotaxin complex
To be published

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