4NYA
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![BU of 4nya by Molmil](/molmil-images/mine/4nya) | Crystal structure of the E. coli thiM riboswitch in complex with 5-(azidomethyl)-2-methylpyrimidin-4-amine | Descriptor: | 5-(azidomethyl)-2-methylpyrimidin-4-amine, MAGNESIUM ION, thiM TPP riboswitch | Authors: | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | Deposit date: | 2013-12-10 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically. Chem.Biol., 21, 2014
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1YRM
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1Z79
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1YY0
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![BU of 1yy0 by Molmil](/molmil-images/mine/1yy0) | Crystal structure of an RNA duplex containing a 2'-amine substitution and a 2'-amide product produced by in-crystal acylation at a C-A mismatch | Descriptor: | 5'-R(*GP*CP*AP*GP*AP*(A5M)P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3', 5'-R(*GP*CP*AP*GP*AP*(M5M)P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3', CALCIUM ION | Authors: | Gherghe, C.M, Krahn, J.M, Weeks, K.M. | Deposit date: | 2005-02-23 | Release date: | 2005-10-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA. J.Am.Chem.Soc., 127, 2005
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1Z7F
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2AB5
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![BU of 2ab5 by Molmil](/molmil-images/mine/2ab5) | bI3 LAGLIDADG Maturase | Descriptor: | SULFATE ION, mRNA maturase | Authors: | Longo, A, Leonard, C.W, Bassi, G.S, Berndt, D, Krahn, J.M, Hall, T.M, Weeks, K.M. | Deposit date: | 2005-07-14 | Release date: | 2005-08-30 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evolution from DNA to RNA recognition by the bI3 LAGLIDADG maturase Nat.Struct.Mol.Biol., 12, 2005
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1YZD
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4NYB
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![BU of 4nyb by Molmil](/molmil-images/mine/4nyb) | Crystal structure of the E. coli thiM riboswitch in complex with (4-(1,2,3-thiadiazol-4-yl)phenyl)methanamine | Descriptor: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | Deposit date: | 2013-12-10 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically. Chem.Biol., 21, 2014
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4NYG
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![BU of 4nyg by Molmil](/molmil-images/mine/4nyg) | Crystal structure of the E. coli thiM riboswitch in complex with thiamine | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, MAGNESIUM ION, thiM TPP riboswitch | Authors: | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | Deposit date: | 2013-12-10 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically. Chem.Biol., 21, 2014
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4NYC
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![BU of 4nyc by Molmil](/molmil-images/mine/4nyc) | Crystal structure of the E. coli thiM riboswitch in complex with thieno[2,3-b]pyrazin-7-amine | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, thiM TPP riboswitch, ... | Authors: | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | Deposit date: | 2013-12-10 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically. Chem.Biol., 21, 2014
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4NYD
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![BU of 4nyd by Molmil](/molmil-images/mine/4nyd) | Crystal structure of the E. coli thiM riboswitch in complex with hypoxanthine | Descriptor: | HYPOXANTHINE, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | Deposit date: | 2013-12-10 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically. Chem.Biol., 21, 2014
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7TDB
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![BU of 7tdb by Molmil](/molmil-images/mine/7tdb) | Crystal structure of the E. coli thiM riboswitch in complex with thiamine bisphosphonate, manganese ions | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid, ... | Authors: | Nuthanakanti, A, Serganov, A. | Deposit date: | 2021-12-30 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Subsite Ligand Recognition and Cooperativity in the TPP Riboswitch: Implications for Fragment-Linking in RNA Ligand Discovery. Acs Chem.Biol., 17, 2022
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7TD7
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7TDC
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![BU of 7tdc by Molmil](/molmil-images/mine/7tdc) | Crystal structure of the E. coli thiM riboswitch in complex with thiamine bisphosphonate, calcium ions | Descriptor: | CALCIUM ION, MAGNESIUM ION, [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid, ... | Authors: | Nuthanakanti, A, Serganov, A. | Deposit date: | 2021-12-30 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Subsite Ligand Recognition and Cooperativity in the TPP Riboswitch: Implications for Fragment-Linking in RNA Ligand Discovery. Acs Chem.Biol., 17, 2022
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7TDA
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7TZU
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7TZS
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7TZT
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![BU of 7tzt by Molmil](/molmil-images/mine/7tzt) | Crystal structure of the E. coli thiM riboswitch in complex with N1,N1-dimethyl-N2-(quinoxalin-6-ylmethyl)ethane-1,2-diamine (linked compound 37) | Descriptor: | 6-methylquinoxaline, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Nuthanakanti, A, Serganov, A. | Deposit date: | 2022-02-16 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | SHAPE-enabled fragment-based ligand discovery for RNA. Proc.Natl.Acad.Sci.USA, 119, 2022
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7TZR
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