7QJU
 
 | | EED in complex with PRC2 allosteric inhibitor compound 7 | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | 登録日 | 2021-12-17 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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4U93
 | | Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 | | 分子名称: | (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one, Heat shock protein HSP 90-alpha | | 著者 | Bellamacina, C.R, Shafer, C.M, Bussiere, D. | | 登録日 | 2014-08-05 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990.
J.Med.Chem., 57, 2014
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4W7T
 | | Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 | | 分子名称: | (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one, Heat shock protein HSP 90-alpha | | 著者 | Bellamacina, C.R, Shafer, C.M, Bussiere, D. | | 登録日 | 2014-08-22 | | 公開日 | 2014-11-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990.
J.Med.Chem., 57, 2014
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5C2O
 | | Crystal structure of Streptococcus mutans Deoxycytidylate Deaminase complexed with dTTP | | 分子名称: | MAGNESIUM ION, Putative deoxycytidylate deaminase, THYMIDINE-5'-TRIPHOSPHATE, ... | | 著者 | Li, Y.H, Gao, Z.Q, Hou, H.F, Dong, Y.H. | | 登録日 | 2015-06-16 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Mechanism of the allosteric regulation of Streptococcus mutans 2'-deoxycytidylate deaminase.
Acta Crystallogr D Struct Biol, 72, 2016
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5IXY
 | | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 31: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one | | 分子名称: | (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Chen, Z, Eigenbrot, C. | | 登録日 | 2016-03-23 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
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6AKW
 | | Crystal structure of RNA dioxygenase bound with an inhibitor | | 分子名称: | 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO | | 著者 | Yang, C.-G, Huang, Y, Gan, J. | | 登録日 | 2018-09-04 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia.
Cancer Cell, 35, 2019
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5IXS
 | | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one | | 分子名称: | (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Ultsch, M, Eigenbrot, C. | | 登録日 | 2016-03-23 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
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8FE8
 | | Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1 | | 分子名称: | 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ... | | 著者 | Rumrill, S, Ruiz, F.X, Arnold, E. | | 登録日 | 2022-12-05 | | 公開日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.
Commun Chem, 6, 2023
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1HP5
 | | STREPTOMYCES PLICATUS BETA-N-ACETYLHEXOSAMINIDASE COMPLEXED WITH INTERMEDIATE ANALOUGE NAG-THIAZOLINE | | 分子名称: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, BETA-N-ACETYLHEXOSAMINIDASE, CHLORIDE ION, ... | | 著者 | Mark, B.L. | | 登録日 | 2000-12-12 | | 公開日 | 2001-04-04 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystallographic evidence for substrate-assisted catalysis in a bacterial beta-hexosaminidase.
J.Biol.Chem., 276, 2001
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6AKK
 | | Crystal structure of the second Coiled-coil domain of SIKE1 | | 分子名称: | GLYCEROL, Suppressor of IKBKE 1 | | 著者 | Zhou, L, Chen, M, Zhou, Z.C. | | 登録日 | 2018-09-02 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
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6AKL
 | | Crystal structure of Striatin3 in complex with SIKE1 Coiled-coil domain | | 分子名称: | Striatin-3, Suppressor of IKBKE 1 | | 著者 | Zhou, L, Chen, M, Zhou, Z.C. | | 登録日 | 2018-09-02 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
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6AKM
 | | Crystal structure of SLMAP-SIKE1 complex | | 分子名称: | GLYCEROL, Sarcolemmal membrane-associated protein, Suppressor of IKBKE 1 | | 著者 | Ma, J, Chen, M, Zhou, Z.C. | | 登録日 | 2018-09-02 | | 公開日 | 2019-01-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling.
Cell Discov, 5, 2019
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6ILN
 | | Cryo-EM structure of full Echovirus 6 particle at PH 5.5 | | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | 著者 | Gao, G.F, Liu, S, Zhao, X, Peng, R. | | 登録日 | 2018-10-19 | | 公開日 | 2019-05-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B.
Cell, 177, 2019
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6BB3
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4XO2
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5H19
 | | EED in complex with PRC2 allosteric inhibitor EED162 | | 分子名称: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | 登録日 | 2016-10-08 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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6JO8
 | | The complex structure of CHIKV envelope glycoprotein bound to human MXRA8 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHIKV E1, ... | | 著者 | Song, H, Zhao, Z, Qi, J, Gao, F, Gao, F.G. | | 登録日 | 2019-03-20 | | 公開日 | 2019-05-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.495 Å) | | 主引用文献 | Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.
Cell, 177, 2019
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6JO7
 | | Crystal structure of mouse MXRA8 | | 分子名称: | Matrix remodeling-associated protein 8 | | 著者 | Song, H, Zhao, Z, Qi, J, Gao, F, Gao, G.F. | | 登録日 | 2019-03-20 | | 公開日 | 2019-05-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.
Cell, 177, 2019
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6WMW
 | | GFRAL receptor bound with two antibody Fabs (3P10, 25M22) | | 分子名称: | FAB25M22 heavy chain fragment, FAB25M22 light chain, FAB3P10 heavy chain fragment, ... | | 著者 | White, A, Lakshminarasimhan, D, Olland, A, Suto, R.K. | | 登録日 | 2020-04-21 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Antibody-mediated inhibition of GDF15-GFRAL activity reverses cancer cachexia in mice.
Nat Med, 26, 2020
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8W4U
 | | human KCNQ2-CaM in complex with PIP2 and HN37 | | 分子名称: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ... | | 著者 | Ma, D, Li, X, Guo, J. | | 登録日 | 2023-08-25 | | 公開日 | 2023-12-13 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
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2MQA
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4MMG
 | | crystal structure of YafQ mutant H87Q from E.coli | | 分子名称: | SULFATE ION, mRNA interferase YafQ | | 著者 | Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H. | | 登録日 | 2013-09-09 | | 公開日 | 2014-06-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ
J.Biol.Chem., 289, 2014
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4ML2
 | | Crystal structure of wild-type YafQ | | 分子名称: | SULFATE ION, mRNA interferase YafQ | | 著者 | Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H. | | 登録日 | 2013-09-06 | | 公開日 | 2014-06-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ
J.Biol.Chem., 289, 2014
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4ML0
 | | Crystal structure of E.coli DinJ-YafQ complex | | 分子名称: | Predicted antitoxin of YafQ-DinJ toxin-antitoxin system, Predicted toxin of the YafQ-DinJ toxin-antitoxin system, SULFATE ION | | 著者 | Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H. | | 登録日 | 2013-09-06 | | 公開日 | 2014-06-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ
J.Biol.Chem., 289, 2014
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4NK4
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