6M0K
 
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor 11b | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | 著者 | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | | 登録日 | 2020-02-22 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.504 Å) | | 主引用文献 | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
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5GTX
 | | Crystal structure of mutated buckwheat glutaredoxin | | 分子名称: | buckwheat glutaredoxin | | 著者 | Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H. | | 登録日 | 2016-08-23 | | 公開日 | 2017-07-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
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5HBF
 | | Crystal structure of human full-length chitotriosidase (CHIT1) | | 分子名称: | Chitotriosidase-1, GLYCEROL | | 著者 | Fadel, F, Zhao, Y, Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | | 登録日 | 2015-12-31 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | X-Ray Crystal Structure of the Full Length Human Chitotriosidase (CHIT1) Reveals Features of Its Chitin Binding Domain.
Plos One, 11, 2016
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5HNT
 | | Crystal Structure of AKR1C3 complexed with CAPE | | 分子名称: | 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Li, C, Zhao, Y, Zhang, H, Hu, X. | | 登録日 | 2016-01-18 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of AKR1C3 complexed with octyl gallate
To Be Published
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5HNU
 | | Crystal Structure of AKR1C3 complexed with octyl gallate | | 分子名称: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, octyl 3,4,5-trihydroxybenzoate | | 著者 | Li, C, Zhao, Y, Zhang, H, Hu, X. | | 登録日 | 2016-01-18 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of AKR1C3 complexed with octyl gallte
To Be Published
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5IHZ
 | | Crystal structure of anti-gliadin 1002-1E01 Fab fragment | | 分子名称: | 1E01 Fab fragment heavy chain, 1E01 Fab fragment light chain | | 著者 | Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M. | | 登録日 | 2016-03-01 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
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5IG7
 | | Crystal structure of anti-gliadin 1002-1E01 Fab fragment in complex of peptide PLQPQQPFP | | 分子名称: | 1E01 Fab fragment heavy chain, 1E01 Fab fragment light chain, SULFATE ION, ... | | 著者 | Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M. | | 登録日 | 2016-02-27 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
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5IK3
 | | Crystal structure of anti-gliadin 1002-1E03 Fab fragment | | 分子名称: | 1E03 Fab fragment heavy chain, 1E03 Fab fragment light chain, SULFATE ION | | 著者 | Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M. | | 登録日 | 2016-03-03 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
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5IJK
 | | Crystal structure of anti-gliadin 1002-1E03 Fab fragment in complex of peptide PLQPEQPFP | | 分子名称: | 1E03 Fab fragment heavy chain, 1E03 Fab fragment light chain, SULFATE ION, ... | | 著者 | Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M. | | 登録日 | 2016-03-02 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
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5IFJ
 | | Crystal structure of anti-gliadin 1002-1E01 Fab fragment in complex of peptide PLQPEQPFP | | 分子名称: | 1E01 Fab fragment heavy chain, 1E01 Fab fragment light chain, SULFATE ION, ... | | 著者 | Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M. | | 登録日 | 2016-02-26 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Stereotyped antibody responses target posttranslationally modified gluten in celiac disease.
JCI Insight, 2, 2017
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5J7A
 | | Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography | | 分子名称: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | | 著者 | Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J. | | 登録日 | 2016-04-06 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
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2Q58
 | | Cryptosporidium parvum putative polyprenyl pyrophosphate synthase (cgd4_2550) in complex with zoledronate | | 分子名称: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, ZOLEDRONIC ACID | | 著者 | Chruszcz, M, Artz, J, Zheng, H, Dong, A, Dunford, J, Lew, J, Zhao, Y, Kozieradski, I, Kavanaugh, K.L, Opperman, U, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, Bochkarev, A, Hui, R, Minor, W, Structural Genomics Consortium (SGC) | | 登録日 | 2007-05-31 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis
Chem.Biol., 15, 2008
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6HS4
 | | Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118 | | 分子名称: | 1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Ren, J, Zhao, Y, Stuart, D.I. | | 登録日 | 2018-09-28 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library.
J.Med.Chem., 62, 2019
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6HRO
 | | Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118a | | 分子名称: | 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Ren, J, Zhao, Y, Stuart, D.I. | | 登録日 | 2018-09-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library.
J.Med.Chem., 62, 2019
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6I2K
 | | Structure of EV71 complexed with its receptor SCARB2 | | 分子名称: | 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhou, D, Zhao, Y, Kotecha, A, Fry, E.E, Kelly, J, Wang, X, Rao, Z, Rowlands, D.J, Ren, J, Stuart, D.I. | | 登録日 | 2018-11-01 | | 公開日 | 2018-11-28 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Unexpected mode of engagement between enterovirus 71 and its receptor SCARB2.
Nat Microbiol, 4, 2019
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6IMG
 | | Solution Structure of Bicyclic Peptide pb-13 | | 分子名称: | (ACE)-GLY-CYS-PRO-CYS-ILE-TRP-PRO-GLU-LEU-CYS-PRO-TRP-ILE-ARG-SER-CYS-(NH2) | | 著者 | Yao, H, Lin, P, Zha, J, Zha, M, Zhao, Y, Wu, C. | | 登録日 | 2018-10-22 | | 公開日 | 2019-08-28 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns.
Chembiochem, 20, 2019
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6ISK
 | | SnoaL-like cyclase XimE | | 分子名称: | 1,2-ETHANEDIOL, MALONIC ACID, XimE, ... | | 著者 | He, B, Zhou, T, Bu, X, Weng, J, Xu, J, Lin, S, Zheng, J, Zhao, Y, Xu, M. | | 登録日 | 2018-11-16 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Enzymatic Pyran Formation Involved in Xiamenmycin Biosynthesis
Acs Catalysis, 9, 2019
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6IMH
 | | Solution Structure of Bicyclic Peptide pb-18 | | 分子名称: | (ACE)-GLY-CYS-PRO-CYS-GLU-PRO-SER-TYR-LEU-CYS-PRO-TRP-LEU-PRO-GLY-CYS-(NH2) | | 著者 | Yao, H, Lin, P, Zha, J, Zha, M, Zhao, Y, Wu, C. | | 登録日 | 2018-10-22 | | 公開日 | 2019-08-28 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns.
Chembiochem, 20, 2019
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6ISL
 | | SnoaL-like cyclase XimE with its product xiamenmycin B | | 分子名称: | (2R,3S)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid, XimE, SnoaL-like domain protein | | 著者 | He, B, Zhou, T, Bu, X, Weng, J, Xu, J, Lin, S, Zheng, J, Zhao, Y, Xu, M. | | 登録日 | 2018-11-16 | | 公開日 | 2019-11-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Enzymatic Pyran Formation Involved in Xiamenmycin Biosynthesis
Acs Catalysis, 9, 2019
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6JBR
 | | Tps1/UDP/T6P complex | | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE | | 著者 | Wang, S, Zhao, Y, Wang, D, Liu, J. | | 登録日 | 2019-01-26 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
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6JAK
 | | OtsA apo structure | | 分子名称: | Trehalose-6-phosphate synthase | | 著者 | Wang, S, Zhao, Y, Wang, D, Liu, J. | | 登録日 | 2019-01-24 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
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6JBI
 | | Structure of Tps1 apo structure | | 分子名称: | Trehalose-6-phosphate synthase | | 著者 | Wang, S, Zhao, Y, Yi, L, Wang, D, Liu, J. | | 登録日 | 2019-01-25 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
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6JBW
 | | Structure of Tps1/UDP complex | | 分子名称: | Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE | | 著者 | Wang, S, Zhao, Y, Wang, D, Liu, J. | | 登録日 | 2019-01-26 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
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6K05
 | | Crystal structure of BRD2(BD1)with ligand BY27 bound | | 分子名称: | (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2 | | 著者 | Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C. | | 登録日 | 2019-05-05 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.935 Å) | | 主引用文献 | Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
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6K04
 | | Crystal structure of BRD2(BD2)with ligand BY27 bound | | 分子名称: | (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, Bromodomain-containing protein 2 | | 著者 | Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C. | | 登録日 | 2019-05-05 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.251 Å) | | 主引用文献 | Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
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