4XJ0
| Crystal structure of ERK2 in complex with an inhibitor 14K | 分子名称: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | 著者 | Yin, J, Wang, W. | 登録日 | 2015-01-08 | 公開日 | 2015-09-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2. J.Med.Chem., 58, 2015
|
|
7C1L
| Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | 登録日 | 2020-05-05 | 公開日 | 2020-11-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
|
|
7C1U
| Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140V/R148A in a "product-released" conformation | 分子名称: | Non-ribosomal peptide synthetase modules | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | 登録日 | 2020-05-05 | 公開日 | 2020-11-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
|
|
7C1R
| Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | 登録日 | 2020-05-05 | 公開日 | 2020-11-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
|
|
7C1H
| Crystal structure of the starter condensation domain of rhizomide synthetase RzmA | 分子名称: | Non-ribosomal peptide synthetase modules | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | 登録日 | 2020-05-04 | 公開日 | 2020-11-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
|
|
7C1S
| Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA and Leu-SNAC | 分子名称: | Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A, S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | 登録日 | 2020-05-05 | 公開日 | 2020-11-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.586 Å) | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
|
|
7C1P
| Crystal structure of the starter condensation domain of the rhizomide synthetase RzmA mutant H140V, R148A | 分子名称: | Non-ribosomal peptide synthetase modules | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D. | 登録日 | 2020-05-05 | 公開日 | 2020-11-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
|
|
7C1K
| Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A | 分子名称: | Non-ribosomal peptide synthetase modules | 著者 | Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X. | 登録日 | 2020-05-04 | 公開日 | 2020-11-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.755 Å) | 主引用文献 | Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis. Nat Commun, 12, 2021
|
|
8HFQ
| Cryo-EM structure of CpcL-PBS from cyanobacterium Synechocystis sp. PCC 6803 | 分子名称: | C-phycocyanin alpha subunit, C-phycocyanin beta subunit, Ferredoxin--NADP reductase, ... | 著者 | Zheng, L, Zhang, Z, Wang, H, Zheng, Z, Gao, N, Zhao, J. | 登録日 | 2022-11-11 | 公開日 | 2023-11-08 | 実験手法 | ELECTRON MICROSCOPY (2.64 Å) | 主引用文献 | Cryo-EM and femtosecond spectroscopic studies provide mechanistic insight into the energy transfer in CpcL-phycobilisomes. Nat Commun, 14, 2023
|
|
4NK3
| Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655 | 分子名称: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | 著者 | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | 登録日 | 2013-11-12 | 公開日 | 2014-02-19 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin(). Bioorg.Med.Chem.Lett., 24, 2014
|
|
6DF6
| Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab | 分子名称: | (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | 登録日 | 2018-05-14 | 公開日 | 2019-02-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha. Bioorg. Med. Chem. Lett., 29, 2019
|
|
6DFN
| Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa | 分子名称: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, ... | 著者 | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | 登録日 | 2018-05-15 | 公開日 | 2019-02-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha. Bioorg. Med. Chem. Lett., 29, 2019
|
|
1G1Z
| NMR Solution Structures of delta-Conotoxin EVIA from Conus ermineus that Selectively Acts on Vertebrate Neuronal Na+ Channels, LEU12-PRO13 Cis isomer | 分子名称: | CONOTOXIN EVIA | 著者 | Volpon, L, Lamthanh, H, Le Gall, F, Menez, A, Lancelin, J.M. | 登録日 | 2000-10-16 | 公開日 | 2000-11-01 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR Solution Structures of delta-Conotoxin EVIA from Conus ermineus That Selectively Acts on Vertebrate Neuronal Na+ Channels. J.Biol.Chem., 279, 2004
|
|
1G1P
| NMR Solution Structures of delta-Conotoxin EVIA from Conus ermineus that Selectively Acts on Vertebrate Neuronal Na+ Channels | 分子名称: | CONOTOXIN EVIA | 著者 | Volpon, L, Lamthanh, H, Barbier, J, Gilles, N, Molgo, J, Menez, A, Lancelin, J.M. | 登録日 | 2000-10-13 | 公開日 | 2000-11-01 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR Solution Structures of delta-Conotoxin EVIA from Conus ermineus That Selectively Acts on Vertebrate Neuronal Na+ Channels. J.Biol.Chem., 279, 2004
|
|
6PNX
| |
8IUM
| Cryo-EM structure of the tafluprost acid-bound human PTGFR-Gq complex | 分子名称: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ... | 著者 | Wu, C, Xu, Y, Xu, H.E. | 登録日 | 2023-03-24 | 公開日 | 2023-07-12 | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | 主引用文献 | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor. Nat Commun, 14, 2023
|
|
5MHC
| Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide | 分子名称: | 14-3-3 protein sigma, CALCIUM ION, LYS-LEU-MET-PHE-LYS-TPO-GLU-GLY-PRO-ASP-SER-ASP, ... | 著者 | Andrei, S, Ottmann, C, Leysen, S. | 登録日 | 2016-11-24 | 公開日 | 2017-10-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction. FEBS Lett., 591, 2017
|
|
5MXO
| Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide stabilized by Fusicoccin-A | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ... | 著者 | Andrei, S, Ottmann, C, Leysen, S. | 登録日 | 2017-01-24 | 公開日 | 2017-11-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction. FEBS Lett., 591, 2017
|
|
5MOC
| Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Andrei, S, Ottmann, C, Leysen, S. | 登録日 | 2016-12-14 | 公開日 | 2017-10-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction. FEBS Lett., 591, 2017
|
|
5XOR
| |
4RVL
| CHK1 kinase domain with diazacarbazole compound 7: 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile | 分子名称: | 3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | 著者 | Wiesmann, C, Wu, P. | 登録日 | 2014-11-26 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J.Med.Chem., 58, 2015
|
|
6RJL
| Fragment AZ-018 binding at the TAZpS89/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, TAZpS89 | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-04-27 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
|
|
6RM7
| Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | 著者 | Somsen, B, Wolter, M, Guillory, X, Genet, S, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-05-05 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
|
|
6RKK
| Fragment AZ-021 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ... | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-04-30 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
|
|
6RWI
| Fragment AZ-002 binding at the p53pT387/14-3-3 sigma interface | 分子名称: | 14-3-3 protein sigma, 5-phenylthiophene-2-carboximidamide, CALCIUM ION, ... | 著者 | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | 登録日 | 2019-06-05 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
|
|