5XUS
| Crystal structure of Lachnospiraceae bacterium ND2006 Cpf1 in complex with crRNA and target DNA (TTTA PAM) | 分子名称: | 1,2-ETHANEDIOL, DNA (29-MER), DNA (5'-D(*CP*GP*TP*CP*CP*TP*TP*TP*A)-3'), ... | 著者 | Yamano, T, Nishimasu, H, Ishitani, R, Nureki, O. | 登録日 | 2017-06-26 | 公開日 | 2017-08-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Basis for the Canonical and Non-canonical PAM Recognition by CRISPR-Cpf1. Mol. Cell, 67, 2017
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5XH6
| Crystal structure of the Acidaminococcus sp. BV3L6 Cpf1 RVR variant in complex with crRNA and target DNA (TATA PAM) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, CRISPR-associated endonuclease Cpf1, ... | 著者 | Nishimasu, H, Yamano, T, Ishitani, R, Nureki, O. | 登録日 | 2017-04-19 | 公開日 | 2017-06-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Basis for the Altered PAM Recognition by Engineered CRISPR-Cpf1 Mol. Cell, 67, 2017
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5X2G
| Crystal structure of Campylobacter jejuni Cas9 in complex with sgRNA and target DNA (AGAAACC PAM) | 分子名称: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, Non-target DNA strand, ... | 著者 | Yamada, M, Watanabe, Y, Hirano, H, Nakane, T, Ishitani, R, Nishimasu, H, Nureki, O. | 登録日 | 2017-01-31 | 公開日 | 2017-03-29 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structure of the Minimal Cas9 from Campylobacter jejuni Reveals the Molecular Diversity in the CRISPR-Cas9 Systems Mol. Cell, 65, 2017
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5X2H
| Crystal structure of Campylobacter jejuni Cas9 in complex with sgRNA and target DNA (AGAAACA PAM) | 分子名称: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, Non-target DNA strand, ... | 著者 | Yamada, M, Watanabe, Y, Hirano, H, Nakane, T, Ishitani, R, Nishimasu, H, Nureki, O. | 登録日 | 2017-01-31 | 公開日 | 2017-03-29 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of the Minimal Cas9 from Campylobacter jejuni Reveals the Molecular Diversity in the CRISPR-Cas9 Systems Mol. Cell, 65, 2017
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5XUT
| Crystal structure of Lachnospiraceae bacterium ND2006 Cpf1 in complex with crRNA and target DNA (TCTA PAM) | 分子名称: | 1,2-ETHANEDIOL, DNA (29-MER), DNA (5'-D(*CP*GP*TP*CP*CP*TP*CP*TP*A)-3'), ... | 著者 | Yamano, T, Nishimasu, H, Ishitani, R, Nureki, O. | 登録日 | 2017-06-26 | 公開日 | 2017-08-09 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis for the Canonical and Non-canonical PAM Recognition by CRISPR-Cpf1. Mol. Cell, 67, 2017
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6JFH
| The asymmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | 分子名称: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural E protein, ... | 著者 | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | 登録日 | 2019-02-08 | 公開日 | 2019-04-10 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (20 Å) | 主引用文献 | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody. Cell Rep, 26, 2019
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5ZVS
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2FDB
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7LYI
| Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3 | 分子名称: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | 著者 | Sacco, M, Wang, J, Chen, Y. | 登録日 | 2021-03-07 | 公開日 | 2021-03-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir. Acs Pharmacol Transl Sci, 4, 2021
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6H4T
| Crystal structure of human KDM4A in complex with compound 19a | 分子名称: | 8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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7LYH
| Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1 | 分子名称: | 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate | 著者 | Sacco, M, Wang, J, Chen, Y. | 登録日 | 2021-03-07 | 公開日 | 2021-03-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir. Acs Pharmacol Transl Sci, 4, 2021
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8CYK
| Crystal structure of hallucinated protein HALC1_878 | 分子名称: | HALC1_878 | 著者 | Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D. | 登録日 | 2022-05-23 | 公開日 | 2022-09-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Robust deep learning-based protein sequence design using ProteinMPNN. Science, 378, 2022
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7LTZ
| Bruton's tyrosine kinase in complex with compound 51 | 分子名称: | 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ... | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-02-20 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 65, 2022
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7LTY
| Bruton's tyrosine kinase in complex with compound 23 | 分子名称: | DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide | 著者 | Metrick, C.M, Marcotte, D.J. | 登録日 | 2021-02-20 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 65, 2022
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4YT3
| CYP106A2 | 分子名称: | ACETATE ION, Cytochrome P450(MEG), PROTOPORPHYRIN IX CONTAINING FE | 著者 | janocha, S, carius, y, bernhardt, r, lancaster, c.r.d. | 登録日 | 2015-03-17 | 公開日 | 2016-02-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of CYP106A2 in Substrate-Free and Substrate-Bound Form. Chembiochem, 17, 2016
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3DK7
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3UG9
| Crystal Structure of the Closed State of Channelrhodopsin | 分子名称: | Archaeal-type opsin 1, Archaeal-type opsin 2, OLEIC ACID, ... | 著者 | Kato, H.E, Ishitani, R, Nureki, O. | 登録日 | 2011-11-02 | 公開日 | 2012-01-25 | 最終更新日 | 2017-08-09 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the channelrhodopsin light-gated cation channel Nature, 482, 2012
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6H4W
| Crystal structure of human KDM4A in complex with compound 19d | 分子名称: | 8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4X
| Crystal structure of human KDM4A in complex with compound 17b | 分子名称: | 8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H4U
| Crystal structure of human KDM4A in complex with compound 34b | 分子名称: | 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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8EBU
| XPC release from Core7-XPA-DNA (Cy5) | 分子名称: | DNA repair protein complementing XP-A cells, DNA repair protein complementing XP-C cells, DNA1, ... | 著者 | Kim, J, Yang, W. | 登録日 | 2022-08-31 | 公開日 | 2023-04-19 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Lesion recognition by XPC, TFIIH and XPA in DNA excision repair. Nature, 617, 2023
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8EBS
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8EBT
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6H4S
| Crystal structure of human KDM4A in complex with compound 16m | 分子名称: | 8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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6H51
| Crystal structure of human KDM5B in complex with compound 34f | 分子名称: | 1,2-ETHANEDIOL, 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M. | 登録日 | 2018-07-23 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur.J.Med.Chem., 177, 2019
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