2QMG
 
 | | Structure of BACE Bound to SCH745966 | | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE | | 著者 | Strickland, C.O, Iserloh, U. | | 登録日 | 2007-07-16 | | 公開日 | 2008-03-18 | | 最終更新日 | 2017-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
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4IGO
 | | Histone H3 Lysine 4 Demethylating rice Rice JMJ703 in complex with alpha-KG | | 分子名称: | 2-OXOGLUTARIC ACID, FE (III) ION, Os05g0196500 protein | | 著者 | Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X. | | 登録日 | 2012-12-17 | | 公開日 | 2013-04-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
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4IGQ
 | | Histone H3 Lysine 4 Demethylating Rice JMJ703 in complex with methylated H3K4 substrate | | 分子名称: | FE (III) ION, N-OXALYLGLYCINE, Os05g0196500 protein, ... | | 著者 | Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X. | | 登録日 | 2012-12-17 | | 公開日 | 2013-04-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
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4RZE
 | | Crystal Structure Analysis of the NUR77 Ligand Binding Domain, L437W,D594E mutant | | 分子名称: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | 著者 | Fengwei, L, Xuyang, T, Anzhong, L, Li, L, Yuan, L, Hangzi, C, Qiao, W, Tianwei, L. | | 登録日 | 2014-12-21 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
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4IGP
 | | Histone H3 Lysine 4 Demethylating Rice JMJ703 apo enzyme | | 分子名称: | FE (III) ION, Os05g0196500 protein | | 著者 | Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X. | | 登録日 | 2012-12-17 | | 公開日 | 2013-04-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.003 Å) | | 主引用文献 | Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
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4EVU
 | | Crystal structure of C-terminal domain of putative periplasmic protein ydgH from S. enterica | | 分子名称: | CHLORIDE ION, Putative periplasmic protein ydgH, SULFATE ION | | 著者 | Michalska, K, Cui, H, Xu, X, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Savchenko, A, Adkins, J.N, Joachimiak, A, Program for the Characterization of Secreted Effector Proteins (PCSEP), Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2012-04-26 | | 公開日 | 2012-05-30 | | 最終更新日 | 2014-07-30 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
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4QQ4
 | | CW-type zinc finger of MORC3 in complex with the amino terminus of histone H3 | | 分子名称: | CHLORIDE ION, Histone H3.3, MORC family CW-type zinc finger protein 3, ... | | 著者 | Liu, Y, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2014-06-26 | | 公開日 | 2014-08-20 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Family-wide Characterization of Histone Binding Abilities of Human CW Domain-containing Proteins.
J.Biol.Chem., 291, 2016
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7BWJ
 | | crystal structure of SARS-CoV-2 antibody with RBD | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | | 著者 | Wang, X, Ge, J. | | 登録日 | 2020-04-14 | | 公開日 | 2020-06-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Human neutralizing antibodies elicited by SARS-CoV-2 infection.
Nature, 584, 2020
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1WT8
 | | Solution Structure of BmP08 from the Venom of Scorpion Buthus martensii Karsch, 20 structures | | 分子名称: | Neurotoxin BmK X | | 著者 | Wu, H, Chen, X, Tong, X, Li, Y, Zhang, N, Wu, G. | | 登録日 | 2004-11-17 | | 公開日 | 2005-04-19 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of BmP08, a novel short-chain scorpion toxin from Buthus martensi Karsch.
Biochem.Biophys.Res.Commun., 330, 2005
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5GSA
 | | EED in complex with an allosteric PRC2 inhibitor | | 分子名称: | Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | | 著者 | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | 登録日 | 2016-08-15 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
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5MZ3
 | | P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide] | | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | | 著者 | Cowan-Jacob, S.W, Scheufler, C. | | 登録日 | 2017-01-30 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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4XQD
 | | X-ray structure analysis of xylanase-WT at pH4.0 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase 2, IODIDE ION | | 著者 | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | 登録日 | 2015-01-19 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4XQW
 | | X-ray structure analysis of xylanase-N44E with MES at pH6.0 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | | 著者 | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | 登録日 | 2015-01-20 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4XPV
 | | Neutron and X-ray structure analysis of xylanase: N44D at pH6 | | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | | 著者 | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | 登録日 | 2015-01-18 | | 公開日 | 2015-09-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4XXB
 | | Crystal structure of human MDM2-RPL11 | | 分子名称: | 60S ribosomal protein L11, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2, ... | | 著者 | Zheng, J, Chen, Z. | | 登録日 | 2015-01-30 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of human MDM2 complexed with RPL11 reveals the molecular basis of p53 activation
Genes Dev., 29, 2015
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4XQ4
 | | X-ray structure analysis of xylanase - N44D | | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | | 著者 | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | | 登録日 | 2015-01-19 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3UAS
 | | Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | | 登録日 | 2011-10-21 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.939 Å) | | 主引用文献 | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
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5YVF
 | | Crystal structure of BFA1 | | 分子名称: | BFA1 | | 著者 | Pu, H, Zhang, L, Duan, Z.K, Peng, L.W, Liu, L. | | 登録日 | 2017-11-25 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | | 主引用文献 | Nucleus-Encoded Protein BFA1 Promotes Efficient Assembly of the Chloroplast ATP Synthase Coupling Factor 1.
Plant Cell, 30, 2018
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4JZR
 | | Structure of Prolyl Hydroxylase Domain-containing Protein (PHD) with Inhibitors | | 分子名称: | 1,2-ETHANEDIOL, 2-(biphenyl-4-yl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one, Egl nine homolog 1, ... | | 著者 | Ma, Y, Yang, L. | | 登録日 | 2013-04-03 | | 公開日 | 2013-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors
Bioorg.Med.Chem., 21, 2013
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4RQF
 | | human Seryl-tRNA synthetase dimer complexed with one molecule of tRNAsec | | 分子名称: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SERINE, Serine--tRNA ligase, ... | | 著者 | Xie, W, Wang, C, Guo, Y, Tian, Q, Jia, Q. | | 登録日 | 2014-11-03 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.503 Å) | | 主引用文献 | SerRS-tRNASec complex structures reveal mechanism of the first step in selenocysteine biosynthesis.
Nucleic Acids Res., 43, 2015
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4RQE
 | | human Seryl-tRNA synthetase dimer complexed with two molecules of tRNAsec | | 分子名称: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SERINE, Serine--tRNA ligase, ... | | 著者 | Xie, W, Wang, C, Guo, Y, Tian, Q, Jia, Q. | | 登録日 | 2014-11-03 | | 公開日 | 2015-11-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | SerRS-tRNASec complex structures reveal mechanism of the first step in selenocysteine biosynthesis.
Nucleic Acids Res., 43, 2015
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3KL1
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3KLX
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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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7QJG
 | | EED in complex with PRC2 allosteric inhibitor compound 6 | | 分子名称: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-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 | 2021-12-16 | | 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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