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1YZD
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BU of 1yzd by Molmil
Crystal structure of an RNA duplex containing a site specific 2'-amine substitution at a C-G Watson-Crick base pair
Descriptor: CALCIUM ION, RNA 5'-R(*GP*CP*AP*GP*AP*(A5M)P*UP*UP*AP*AP*GP*UP*CP*UP*GP*C)-3'
Authors:Gherghe, C.M, Krahn, J.M, Weeks, K.M.
Deposit date:2005-02-28
Release date:2005-10-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA.
J.Am.Chem.Soc., 127, 2005
1Z7F
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BU of 1z7f by Molmil
Crystal structure of 16 base pair RNA duplex containing a C-A mismatch
Descriptor: 5'-R(*GP*CP*AP*GP*AP*CP*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3', STRONTIUM ION
Authors:Gherghe, C.M, Krahn, J.M, Weeks, K.M.
Deposit date:2005-03-24
Release date:2005-10-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA.
J.Am.Chem.Soc., 127, 2005
1Z79
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BU of 1z79 by Molmil
Crystal structure of an RNA duplex containing site specific 2'-amine substitution at a C-A mismatch (at pH 5)
Descriptor: CALCIUM ION, RNA 5'-R(*GP*CP*AP*GP*AP*(A5M)P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3'
Authors:Gherghe, C.M, Krahn, J.M, Weeks, K.M.
Deposit date:2005-03-24
Release date:2005-10-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA.
J.Am.Chem.Soc., 127, 2005
1YY0
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BU of 1yy0 by Molmil
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
1YRM
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BU of 1yrm by Molmil
Crystal Structure of an RNA duplex containing site specific 2'-amine substitutions at a C-A mismatch
Descriptor: DNA/RNA (5'-R(*GP*CP*AP*GP*A)-D(P*(A5M))-R(P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3'), STRONTIUM ION
Authors:Gherghe, C.M, Krahn, J.M, Weeks, K.M.
Deposit date:2005-02-04
Release date:2005-10-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA.
J.Am.Chem.Soc., 127, 2005
2AB5
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BU of 2ab5 by Molmil
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
4NYC
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BU of 4nyc by Molmil
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
4NYD
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BU of 4nyd by Molmil
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
4NYA
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BU of 4nya by Molmil
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
4NYB
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BU of 4nyb by Molmil
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
4NYG
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BU of 4nyg by Molmil
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
7TD7
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BU of 7td7 by Molmil
Crystal structure of an E. coli thiM riboswitch bound to thiamine, manganese ions
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2021-12-30
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Subsite Ligand Recognition and Cooperativity in the TPP Riboswitch: Implications for Fragment-Linking in RNA Ligand Discovery.
Acs Chem.Biol., 17, 2022
7TDC
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BU of 7tdc by Molmil
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
7TDA
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BU of 7tda by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with thiamine pyrophosphate, manganese ions
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, THIAMINE DIPHOSPHATE, ...
Authors:Nuthanakanti, A, Serganov, A.
Deposit date:2021-12-30
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Subsite Ligand Recognition and Cooperativity in the TPP Riboswitch: Implications for Fragment-Linking in RNA Ligand Discovery.
Acs Chem.Biol., 17, 2022
7TDB
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BU of 7tdb by Molmil
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
7TZR
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BU of 7tzr by Molmil
Crystal structure of the E. coli thiM riboswitch bound to N-methyl-1-(quinoxalin-6-yl)methanamine (compound 16)
Descriptor: MAGNESIUM ION, N-methyl-1-(quinoxalin-6-yl)methanamine, POTASSIUM 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 (2.7 Å)
Cite:SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TZT
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BU of 7tzt by Molmil
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
7TZU
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BU of 7tzu by Molmil
Crystal structure of the E. coli thiM riboswitch bound to 1-(4-(piperazin-1-yl)pyridin-3-yl)-N-(quinoxalin-6-ylmethyl)methanamine (linked compound 38)
Descriptor: 1-[4-(piperazin-1-yl)pyridin-3-yl]-N-[(quinoxalin-6-yl)methyl]methanamine, 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 (2.87 Å)
Cite:SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TZS
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BU of 7tzs by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with quinoxalin-6-ylmethanamine (compound 17)
Descriptor: 1-(quinoxalin-6-yl)methanamine, MAGNESIUM ION, POTASSIUM 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 (2.21 Å)
Cite:SHAPE-enabled fragment-based ligand discovery for RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022

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