6VAR
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![BU of 6var by Molmil](/molmil-images/mine/6var) | 61 nt human Hepatitis B virus epsilon pre-genomic RNA | Descriptor: | RNA (61-MER) | Authors: | LeBlanc, R.M, Kasprzak, W.K, Longhini, A.P, Abulwerdi, F, Ginocchio, S, Shields, B, Nyman, J, Svirydava, M, Del Vecchio, C, Ivanic, J, Schneekloth, J.S, Dayie, T.K, Shapiro, B.A, Le Grice, S.F.J. | Deposit date: | 2019-12-17 | Release date: | 2020-12-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | Structural insights of the conserved "priming loop" of hepatitis B virus pre-genomic RNA. J.Biomol.Struct.Dyn., 2021
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7E9I
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![BU of 7e9i by Molmil](/molmil-images/mine/7e9i) | Crystal structure of a class I PreQ1 riboswitch aptamer (wild-type) complexed with a cognate ligand-derived photoaffinity probe | Descriptor: | 2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one, 33-mer RNA, SULFATE ION | Authors: | Numata, T, Schneekloth, J.S. | Deposit date: | 2021-03-04 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A chemical probe based on the PreQ 1 metabolite enables transcriptome-wide mapping of binding sites. Nat Commun, 12, 2021
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7E9E
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![BU of 7e9e by Molmil](/molmil-images/mine/7e9e) | Crystal structure of a class I PreQ1 riboswitch aptamer (ab13-14) complexed with a cognate ligand-derived photoaffinity probe | Descriptor: | 2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one, 33-mer RNA, MAGNESIUM ION, ... | Authors: | Numata, T, Schneekloth, J.S. | Deposit date: | 2021-03-04 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | A chemical probe based on the PreQ 1 metabolite enables transcriptome-wide mapping of binding sites. Nat Commun, 12, 2021
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6E1V
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![BU of 6e1v by Molmil](/molmil-images/mine/6e1v) | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 3: 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine | Descriptor: | 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine, RNA (33-MER) | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | Deposit date: | 2018-07-10 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure. Nat Commun, 10, 2019
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6E1W
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![BU of 6e1w by Molmil](/molmil-images/mine/6e1w) | Crystal structure of a class I PreQ1 riboswitch complexed with PreQ1 | Descriptor: | 2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, ACETATE ION, MAGNESIUM ION, ... | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | Deposit date: | 2018-07-10 | Release date: | 2019-04-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure. Nat Commun, 10, 2019
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6E1S
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![BU of 6e1s by Molmil](/molmil-images/mine/6e1s) | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 1: 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine | Descriptor: | 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine, RNA (33-MER) | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | Deposit date: | 2018-07-10 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure. Nat Commun, 10, 2019
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6E1T
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![BU of 6e1t by Molmil](/molmil-images/mine/6e1t) | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 1: 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine, MAGNESIUM ION, ... | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | Deposit date: | 2018-07-10 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure. Nat Commun, 10, 2019
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6E1U
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![BU of 6e1u by Molmil](/molmil-images/mine/6e1u) | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 2: 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine | Descriptor: | 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine, MAGNESIUM ION, RNA (33-MER) | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | Deposit date: | 2018-07-10 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure. Nat Commun, 10, 2019
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5F6W
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![BU of 5f6w by Molmil](/molmil-images/mine/5f6w) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol) | Descriptor: | 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6V
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![BU of 5f6v by Molmil](/molmil-images/mine/5f6v) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol from fragment cocktail screen) | Descriptor: | 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.492 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6X
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![BU of 5f6x by Molmil](/molmil-images/mine/5f6x) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen) | Descriptor: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6E
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![BU of 5f6e by Molmil](/molmil-images/mine/5f6e) | Crystal Structure of human Ubc9 (K48A/K49A/E54A) | Descriptor: | 1,2-ETHANEDIOL, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-05 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6U
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![BU of 5f6u by Molmil](/molmil-images/mine/5f6u) | Crystal Structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 8 (JSS190B146) | Descriptor: | SUMO-conjugating enzyme UBC9, ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6Y
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![BU of 5f6y by Molmil](/molmil-images/mine/5f6y) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole) | Descriptor: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6D
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![BU of 5f6d by Molmil](/molmil-images/mine/5f6d) | Crystal structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 6 | Descriptor: | 6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-05 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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