6MBP
 
 | | GLP Methyltransferase with Inhibitor EML741- P3121 Crystal Form | | 分子名称: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | | 著者 | Horton, J.R, Cheng, X. | | 登録日 | 2018-08-30 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.947 Å) | | 主引用文献 | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.
J. Med. Chem., 62, 2019
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6MBO
 | | GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form | | 分子名称: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | | 著者 | Horton, J.R, Cheng, X. | | 登録日 | 2018-08-30 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.591 Å) | | 主引用文献 | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.
J. Med. Chem., 62, 2019
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7JVQ
 | | Cryo-EM structure of apomorphine-bound dopamine receptor 1 in complex with Gs protein | | 分子名称: | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | | 著者 | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | | 登録日 | 2020-08-22 | | 公開日 | 2021-02-24 | | 最終更新日 | 2021-03-03 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
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7JVP
 | | Cryo-EM structure of SKF-83959-bound dopamine receptor 1 in complex with Gs protein | | 分子名称: | (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | | 著者 | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | | 登録日 | 2020-08-22 | | 公開日 | 2021-02-24 | | 最終更新日 | 2021-03-03 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
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7JV5
 | | Cryo-EM structure of SKF-81297-bound dopamine receptor 1 in complex with Gs protein | | 分子名称: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | | 著者 | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | | 登録日 | 2020-08-20 | | 公開日 | 2021-02-24 | | 最終更新日 | 2021-03-03 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
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7JVR
 | | Cryo-EM structure of Bromocriptine-bound dopamine receptor 2 in complex with Gi protein | | 分子名称: | Antibody fragment ScFv16, 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 | Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E. | | 登録日 | 2020-08-22 | | 公開日 | 2021-02-24 | | 最終更新日 | 2021-03-31 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
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7C39
 | | Crystal structure of AofleA from Arthrobotrys oligospora in complex with methylated L-fucose | | 分子名称: | AoflcA, CITRIC ACID, GLYCEROL, ... | | 著者 | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | 登録日 | 2020-05-11 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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7C3D
 | | Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-arabinose | | 分子名称: | AofleA, GLYCEROL, alpha-D-arabinopyranose, ... | | 著者 | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | 登録日 | 2020-05-12 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.596 Å) | | 主引用文献 | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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7C38
 | | Crystal structure of AofleA from Arthrobotrys oligospora in complex with L-fucose | | 分子名称: | AofleA, GLYCEROL, alpha-L-fucopyranose, ... | | 著者 | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | 登録日 | 2020-05-11 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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7C3E
 | | Crystal structure of R97A/R150A/R203A mutant of AofleA from Arthrobotrys oligospora | | 分子名称: | AofleA, GLYCEROL, SULFATE ION | | 著者 | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | 登録日 | 2020-05-12 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.183 Å) | | 主引用文献 | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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7C3C
 | | Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-manose | | 分子名称: | AofleA, GLYCEROL, alpha-D-mannopyranose, ... | | 著者 | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | 登録日 | 2020-05-12 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.301 Å) | | 主引用文献 | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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7C37
 | | Crystal structure of AofleA from Arthrobotrys oligospora | | 分子名称: | AofleA, BICINE | | 著者 | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | 登録日 | 2020-05-11 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | | 主引用文献 | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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6J67
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6IHG
 | | N terminal domain of Mycobacterium avium complex Lon protease | | 分子名称: | Lon protease | | 著者 | Chen, X.Y, Zhang, S.J, Bi, F.K, Guo, C.Y, Yao, H.W, Lin, D.H. | | 登録日 | 2018-09-29 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.397 Å) | | 主引用文献 | Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
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8XLQ
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8XLO
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6VBK
 | | Crystal structure of N-terminal domain of Mycobacterium tuberculosis complex Lon protease | | 分子名称: | GLYCEROL, Lon211 | | 著者 | Bi, F.K, Chen, C, Chen, X.Y, Guo, C.Y, Lin, D.H. | | 登録日 | 2019-12-19 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
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8WIU
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | 分子名称: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | | 著者 | Cao, D, Zhiyan, D, Xiong, B. | | 登録日 | 2023-09-25 | | 公開日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
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4DUM
 | | Co-crystal structure of eIF4E with inhibitor | | 分子名称: | (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid, 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 4E | | 著者 | Min, X, Johnstone, S, Walker, N, Wang, Z. | | 登録日 | 2012-02-22 | | 公開日 | 2012-04-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
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8IBQ
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | 分子名称: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | | 著者 | Cao, D, Zhiyan, D, Xiong, B. | | 登録日 | 2023-02-10 | | 公開日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
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8IDH
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | 分子名称: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | | 著者 | Cao, D, Zhiyan, D, Xiong, B. | | 登録日 | 2023-02-13 | | 公開日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
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1QAW
 | | Regulatory Features of the TRP Operon and the Crystal Structure of the TRP RNA-Binding Attenuation Protein from Bacillus Stearothermophilus. | | 分子名称: | TRP RNA-BINDING ATTENUATION PROTEIN, TRYPTOPHAN | | 著者 | Chen, X.-P, Antson, A.A, Yang, M, Baumann, C, Dodson, E.J, Dodson, G.G, Gollnick, P. | | 登録日 | 1999-03-31 | | 公開日 | 1999-04-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Regulatory features of the trp operon and the crystal structure of the trp RNA-binding attenuation protein from Bacillus stearothermophilus.
J.Mol.Biol., 289, 1999
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5K00
 | | MELK in complex with NVS-MELK5 | | 分子名称: | 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase | | 著者 | Sprague, E.R. | | 登録日 | 2016-05-17 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | "Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors.
J. Med. Chem., 60, 2017
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6XBU
 | | polymerase domain of polymerase-theta | | 分子名称: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*GP*TP*CP*AP*TP*TP*G)-3'), DNA polymerase theta, ... | | 著者 | Chen, X, Pomerantz, R, Zhao, J. | | 登録日 | 2020-06-07 | | 公開日 | 2021-06-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | | 主引用文献 | Pol theta reverse transcribes RNA and promotes RNA-templated DNA repair.
Sci Adv, 7, 2021
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4RXZ
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