7RSP
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![BU of 7rsp by Molmil](/molmil-images/mine/7rsp) | Structure of the VPS34 kinase domain with compound 14 | 分子名称: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | 登録日 | 2021-08-11 | 公開日 | 2021-11-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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7RSV
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![BU of 7rsv by Molmil](/molmil-images/mine/7rsv) | Structure of the VPS34 kinase domain with compound 5 | 分子名称: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | 登録日 | 2021-08-11 | 公開日 | 2021-11-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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4UY1
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![BU of 4uy1 by Molmil](/molmil-images/mine/4uy1) | Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors | 分子名称: | 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H. | 登録日 | 2014-08-28 | 公開日 | 2014-10-15 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening Bioorg.Med.Chem.Lett., 24, 2014
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7C2J
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![BU of 7c2j by Molmil](/molmil-images/mine/7c2j) | Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization) | 分子名称: | 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ... | 著者 | Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W. | 登録日 | 2020-05-07 | 公開日 | 2020-05-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design. Signal Transduct Target Ther, 5, 2020
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6LSA
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![BU of 6lsa by Molmil](/molmil-images/mine/6lsa) | Complex structure of bovine herpesvirus 1 glycoprotein D and bovine nectin-1 IgV | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D, ... | 著者 | Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W. | 登録日 | 2020-01-17 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.204 Å) | 主引用文献 | Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor. Sci Adv, 6, 2020
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6LS9
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![BU of 6ls9 by Molmil](/molmil-images/mine/6ls9) | Crystal structure of bovine herpesvirus 1 glycoprotein D | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D | 著者 | Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W. | 登録日 | 2020-01-17 | 公開日 | 2020-06-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | 主引用文献 | Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor. Sci Adv, 6, 2020
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6KH3
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![BU of 6kh3 by Molmil](/molmil-images/mine/6kh3) | Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | 分子名称: | FE (III) ION, Ferritin, NICKEL (II) ION | 著者 | Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G. | 登録日 | 2019-07-12 | 公開日 | 2020-01-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes. Chemistry, 26, 2020
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7C2I
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![BU of 7c2i by Molmil](/molmil-images/mine/7c2i) | Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization) | 分子名称: | 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ... | 著者 | Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W. | 登録日 | 2020-05-07 | 公開日 | 2020-05-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design. Signal Transduct Target Ther, 5, 2020
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6KH5
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![BU of 6kh5 by Molmil](/molmil-images/mine/6kh5) | Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | 分子名称: | FE (III) ION, Ferritin, NICKEL (II) ION | 著者 | Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G. | 登録日 | 2019-07-12 | 公開日 | 2020-01-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.294 Å) | 主引用文献 | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes. Chemistry, 26, 2020
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5H9T
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![BU of 5h9t by Molmil](/molmil-images/mine/5h9t) | Crystal structure of native NalD at resolution of 2.9, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa | 分子名称: | NalD | 著者 | Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H. | 登録日 | 2015-12-29 | 公開日 | 2016-04-20 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa. Mol. Microbiol., 100, 2016
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7T6B
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![BU of 7t6b by Molmil](/molmil-images/mine/7t6b) | Structure of S1PR2-heterotrimeric G13 signaling complex | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Li, X, Chen, H. | 登録日 | 2021-12-13 | 公開日 | 2022-04-06 | 最終更新日 | 2022-06-29 | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | 主引用文献 | Structure of S1PR2-heterotrimeric G 13 signaling complex. Sci Adv, 8, 2022
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5GPO
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![BU of 5gpo by Molmil](/molmil-images/mine/5gpo) | The sensor domain structure of the zinc-responsive histidine kinase CzcS from Pseudomonas Aeruginosa | 分子名称: | SULFATE ION, Sensor protein CzcS, ZINC ION | 著者 | Wang, D, Chen, W.Z, Huang, S.Q, Liu, X.C, Hu, Q.Y, Wei, T.B, Gan, J.H, Chen, H. | 登録日 | 2016-08-03 | 公開日 | 2017-08-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | 主引用文献 | Structural basis of Zn(II) induced metal detoxification and antibiotic resistance by histidine kinase CzcS in Pseudomonas aeruginosa PLoS Pathog., 13, 2017
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5DAJ
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![BU of 5daj by Molmil](/molmil-images/mine/5daj) | Crystal structure of NalD, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa | 分子名称: | NalD | 著者 | Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H. | 登録日 | 2015-08-20 | 公開日 | 2016-04-20 | 最終更新日 | 2023-04-12 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa Mol.Microbiol., 100, 2016
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6X2J
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![BU of 6x2j by Molmil](/molmil-images/mine/6x2j) | Structure of human TRPA1 in complex with agonist GNE551 | 分子名称: | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, Transient receptor potential cation channel subfamily A member 1 | 著者 | Rohou, A, Rouge, L, Chen, H. | 登録日 | 2020-05-20 | 公開日 | 2020-11-18 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | A Non-covalent Ligand Reveals Biased Agonism of the TRPA1 Ion Channel. Neuron, 109, 2021
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4G1T
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![BU of 4g1t by Molmil](/molmil-images/mine/4g1t) | Crystal structure of interferon-stimulated gene 54 | 分子名称: | Interferon-induced protein with tetratricopeptide repeats 2 | 著者 | Yang, Z, Liang, H, Zhou, Q, Li, Y, Chen, H, Ye, W, Chen, D, Fleming, J, Shu, H, Liu, Y. | 登録日 | 2012-07-11 | 公開日 | 2012-08-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of ISG54 reveals a novel RNA binding structure and potential functional mechanisms. Cell Res., 22, 2012
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4X7N
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![BU of 4x7n by Molmil](/molmil-images/mine/4x7n) | Co-crystal Structure of PERK bound to 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor | 分子名称: | 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID | 著者 | Shaffer, P.L, Long, A.M, Chen, H. | 登録日 | 2014-12-09 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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4X7J
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![BU of 4x7j by Molmil](/molmil-images/mine/4x7j) | Co-crystal Structure of PERK with 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide inhibitor | 分子名称: | 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID | 著者 | Shaffer, P.L, Long, A.M, Chen, H. | 登録日 | 2014-12-09 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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4X7K
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![BU of 4x7k by Molmil](/molmil-images/mine/4x7k) | Co-crystal Structure of PERK bound to 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor | 分子名称: | 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ... | 著者 | Shaffer, P.L, Long, A.M, Chen, H. | 登録日 | 2014-12-09 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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4X7O
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![BU of 4x7o by Molmil](/molmil-images/mine/4x7o) | Co-crystal Structure of PERK bound to 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone inhibitor | 分子名称: | 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3 | 著者 | Shaffer, P.L, Long, A.M, Chen, H. | 登録日 | 2014-12-09 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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4X7H
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![BU of 4x7h by Molmil](/molmil-images/mine/4x7h) | Co-crystal Structure of PERK bound to N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide inhibitor | 分子名称: | Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide, SULFATE ION | 著者 | Shaffer, P.L, Bellon, S.F, Long, A.M, Chen, H. | 登録日 | 2014-12-09 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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4X7L
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![BU of 4x7l by Molmil](/molmil-images/mine/4x7l) | Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor | 分子名称: | 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ... | 著者 | Shaffer, P.L, Long, A.M, Chen, H. | 登録日 | 2014-12-09 | 公開日 | 2015-01-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 58, 2015
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1KU9
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![BU of 1ku9 by Molmil](/molmil-images/mine/1ku9) | X-ray Structure of a Methanococcus jannaschii DNA-Binding Protein: Implications for Antibiotic Resistance in Staphylococcus aureus | 分子名称: | hypothetical protein MJ223 | 著者 | Ray, S.S, Bonanno, J.B, Chen, H, de Lencastre, H, Wu, S, Tomasz, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2002-01-21 | 公開日 | 2002-12-25 | 最終更新日 | 2021-02-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | X-ray structure of an M. jannaschii DNA-binding protein: implications for antibiotic resistance in S.
aureus Proteins, 50, 2002
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1OMY
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![BU of 1omy by Molmil](/molmil-images/mine/1omy) | Crystal Structure of a Recombinant alpha-insect Toxin BmKaIT1 from the scorpion Buthus martensii Karsch | 分子名称: | ACETIC ACID, Alpha-neurotoxin TX12, CHLORIDE ION | 著者 | Huang, Y, Huang, Q, Chen, H, Tang, Y, Miyake, H, Kusunoki, M. | 登録日 | 2003-02-26 | 公開日 | 2003-09-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystallization and preliminary crystallographic study of rBmKalphaIT1, a recombinant alpha-insect toxin from the scorpion Buthus martensii Karsch. Acta Crystallogr.,Sect.D, 59, 2003
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4JGV
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![BU of 4jgv by Molmil](/molmil-images/mine/4jgv) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN | 分子名称: | 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | 著者 | Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | 登録日 | 2013-03-04 | 公開日 | 2013-12-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
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6VXK
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![BU of 6vxk by Molmil](/molmil-images/mine/6vxk) | Cryo-EM Structure of the full-length A39R/PlexinC1 complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-C1, Semaphorin-like protein 139 | 著者 | Kuo, Y.-C, Chen, H, Shang, G, Uchikawa, E, Tian, H, Bai, X, Zhang, X. | 登録日 | 2020-02-22 | 公開日 | 2020-04-29 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Cryo-EM structure of the PlexinC1/A39R complex reveals inter-domain interactions critical for ligand-induced activation. Nat Commun, 11, 2020
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