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
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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
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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
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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
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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
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5UEF
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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
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5UEE
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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
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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
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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
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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
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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
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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
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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
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8VAW
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8VAX
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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
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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
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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
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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
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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
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7U87
| Product of 13mer primer with activated G monomer diastereomer 1 | Descriptor: | 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(sulfanyl)phosphoryl]guanosine, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*(G46)P*(G46))-3') | Authors: | Fang, Z, Szostak, J.W. | Deposit date: | 2022-03-08 | Release date: | 2023-03-15 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Catalytic Metal Ion-Substrate Coordination during Nonenzymatic RNA Primer Extension. J.Am.Chem.Soc., 2024
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7U88
| Product of 13mer primer with activated G monomer diastereomer 2 | Descriptor: | 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(sulfanyl)phosphoryl]guanosine, RNA (5'-R(*(LKC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*(G46)P*(G46))-3'), SULFATE ION | Authors: | Fang, Z, Szostak, J.W. | Deposit date: | 2022-03-08 | Release date: | 2023-03-15 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Catalytic Metal Ion-Substrate Coordination during Nonenzymatic RNA Primer Extension. J.Am.Chem.Soc., 2024
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7U89
| Product of 14mer primer with activated G monomer diastereomer 1 | Descriptor: | 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(sulfanyl)phosphoryl]guanosine, RNA (5'-R(*(LKC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*GP*(G46))-3') | Authors: | Fang, Z, Szostak, J.W. | Deposit date: | 2022-03-08 | Release date: | 2023-03-15 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Catalytic Metal Ion-Substrate Coordination during Nonenzymatic RNA Primer Extension. J.Am.Chem.Soc., 2024
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