5KRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5krg by Molmil](/molmil-images/mine/5krg) | RNA 15mer duplex binding with PZG monomer | Descriptor: | RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*GP*G)-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2016-07-07 | Release date: | 2016-12-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes. ACS Cent Sci, 2, 2016
|
|
5L00
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5l00 by Molmil](/molmil-images/mine/5l00) | Self-complimentary RNA 15mer binding with GMP monomers | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*GP*G)-3') | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2016-07-26 | Release date: | 2016-12-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes. ACS Cent Sci, 2, 2016
|
|
5DHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dhb by Molmil](/molmil-images/mine/5dhb) | Cooperativity and Downstream Binding in RNA Replication | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, RNA (5'-R(*(LCC)P*(TLN)P*(LCG)P*UP*AP*CP*A)-3') | Authors: | Zhang, W, Fahrenbach, A.C, Tam, C.P, Szostak, J.W. | Deposit date: | 2015-08-30 | Release date: | 2016-12-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes. ACS Cent Sci, 2, 2016
|
|
5DHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dhc by Molmil](/molmil-images/mine/5dhc) | Cooperativity and Downstream Binding in RNA Replication | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3') | Authors: | Zhang, W, Fahrenbach, A.C, Tam, C.P, Szostak, J.W. | Deposit date: | 2015-08-30 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes. ACS Cent Sci, 2, 2016
|
|
5HBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hbx by Molmil](/molmil-images/mine/5hbx) | RNA primer-template complex with 2-methylimidazole-activated monomer analogue-2 binding sites | Descriptor: | RNA (5'-R(*(LCC)P*(LCC)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2016-01-03 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes. ACS Cent Sci, 2, 2016
|
|
5HBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hby by Molmil](/molmil-images/mine/5hby) | RNA primer-template complex with 2-methylimidazole-activated monomer analogue-3 binding sites | Descriptor: | MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*C)-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid | Authors: | Zhang, W, Tam, C.P, Wang, J, Szostak, J.W. | Deposit date: | 2016-01-03 | Release date: | 2016-12-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes. ACS Cent Sci, 2, 2016
|
|
5HBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hbw by Molmil](/molmil-images/mine/5hbw) | RNA primer-template complex with 2-methylimidazole-activated monomer analogue | Descriptor: | RNA (5'-R(*(LCC)P*(TLN)P*(LCG)P*UP*AP*CP*A)-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2016-01-03 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes. ACS Cent Sci, 2, 2016
|
|
5UEG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ueg by Molmil](/molmil-images/mine/5ueg) | RNA primer-template complex with guanosine dinucleotide G(5')pppp(5')G ligand | Descriptor: | RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*GP*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3'), [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2017-01-02 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insight into the mechanism of nonenzymatic RNA primer extension from the structure of an RNA-GpppG complex. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5UEF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uef by Molmil](/molmil-images/mine/5uef) | |
5UED
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ued by Molmil](/molmil-images/mine/5ued) | RNA primer-template complex with guanosine dinucleotide ligand G(5')pp(5')G | Descriptor: | RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*GP*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3'), [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2017-01-01 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Insight into the mechanism of nonenzymatic RNA primer extension from the structure of an RNA-GpppG complex. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5UEE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uee by Molmil](/molmil-images/mine/5uee) | |
5V0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v0k by Molmil](/molmil-images/mine/5v0k) | RNA duplex with 2-MeImpG analogue bound-3 binding sites | Descriptor: | 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*C)-3') | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2017-02-28 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | RNA duplex with 2-MeImpG analogue bound-3 binding sites To Be Published
|
|
5V0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v0j by Molmil](/molmil-images/mine/5v0j) | RNA duplex with 2-MeImpG analogue bound-2 binding sites | Descriptor: | 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3') | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2017-02-28 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide. J. Am. Chem. Soc., 140, 2018
|
|
5V0O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v0o by Molmil](/molmil-images/mine/5v0o) | RNA hairpin structure containing 2-MeImpG analogue bound | Descriptor: | 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, RNA (25-MER), RNA (5'-R(*GP*CP*AP*CP*CP*UP*CP*A)-3') | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2017-02-28 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide. J. Am. Chem. Soc., 140, 2018
|
|
5V0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v0h by Molmil](/molmil-images/mine/5v0h) | RNA duplex with 2-MeImpG analogue bound-one binding site | Descriptor: | 5'-O-[(S)-hydroxy(4-methyl-1H-imidazol-5-yl)phosphoryl]guanosine, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*GP*G)-3') | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2017-02-28 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Rationale for the Enhanced Catalysis of Nonenzymatic RNA Primer Extension by a Downstream Oligonucleotide. J. Am. Chem. Soc., 140, 2018
|
|
5E7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e7r by Molmil](/molmil-images/mine/5e7r) | Crystal structure of TL10-81 bound to TAK1-TAB1 | Descriptor: | 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide, TAK1 kinase - TAB1 chimera fusion protein | Authors: | Gurbani, D, Hunter, J.C, Tan, L, Chen, Z, Westover, K.D. | Deposit date: | 2015-10-13 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
|
|
6U7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u7z by Molmil](/molmil-images/mine/6u7z) | RNA hairpin structure containing one TNA nucleotide as primer | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, RNA (5'-R(*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3'), RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*GP*CP*CP*GP*AP*AP*AP*GP*(TG))-3') | Authors: | Szostak, J.W, Zhang, W. | Deposit date: | 2019-09-03 | Release date: | 2020-12-09 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res., 49, 2021
|
|
6U8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u8u by Molmil](/molmil-images/mine/6u8u) | RNA duplex bound with TNA 3'-3' imidazolium dimer | Descriptor: | 2-amino-3-[(R)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(S)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3') | Authors: | Szostak, J.W, Zhang, W. | Deposit date: | 2019-09-05 | Release date: | 2020-12-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res., 49, 2021
|
|
5JH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jh6 by Molmil](/molmil-images/mine/5jh6) | Crystal structure of TL10-92 bound to TAK1-TAB1 | Descriptor: | 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate, Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-20 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.365 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
|
|
5JK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jk3 by Molmil](/molmil-images/mine/5jk3) | Crystal structure of TL11-128 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-25 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.371 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
|
|
5J7S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j7s by Molmil](/molmil-images/mine/5j7s) | Crystal structure of SM1-71 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-06 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.368 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
|
|
5J9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j9l by Molmil](/molmil-images/mine/5j9l) | Crystal structure of CPT1691 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-10 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7515 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
|
|
5J8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j8i by Molmil](/molmil-images/mine/5j8i) | Crystal structure of TL11-113 bound to TAK1-TAB1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | Authors: | Gurbani, D, Westover, K.D. | Deposit date: | 2016-04-07 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.404 Å) | Cite: | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
|
|
8VAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vax by Molmil](/molmil-images/mine/8vax) | |
8VAW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vaw by Molmil](/molmil-images/mine/8vaw) | |