6JJ3
 
 | | BRD4 in complex with 138A | | 分子名称: | 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4 | | 著者 | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | 登録日 | 2019-02-25 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.718 Å) | | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
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7KHL
 | | BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate) | | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | | 著者 | Murray, J.M. | | 登録日 | 2020-10-21 | | 公開日 | 2021-02-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.286 Å) | | 主引用文献 | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
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7KHH
 | | Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide) | | 分子名称: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | | 著者 | Murray, J.M. | | 登録日 | 2020-10-21 | | 公開日 | 2021-02-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.281 Å) | | 主引用文献 | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
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6J2E
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP1 | | 分子名称: | Beta-2-microglobulin, EBOV-NP1, MHC class I antigen | | 著者 | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | 登録日 | 2019-01-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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6IX4
 | | Structure of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.51 Angstroms resolution | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Hu, D, Hu, B.C, Hou, X.D, Wu, L, Rao, Y.J, Wu, M.C. | | 登録日 | 2018-12-09 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.511 Å) | | 主引用文献 | Nearly perfect kinetic resolution of racemic o-nitrostyrene oxide by AuEH2, a microsomal epoxide hydrolase from Aspergillus usamii, with high enantio- and regio-selectivity.
Int.J.Biol.Macromol., 169, 2021
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6J2G
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP2 | | 分子名称: | Beta-2-microglobulin, EBOV-NP2, Ptal-N*01:01 | | 著者 | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | 登録日 | 2019-01-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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6J2D
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Hendra virus-derived peptide HeV1 | | 分子名称: | HeV1, Ptal-N*01:01, beta-2 microglobulin | | 著者 | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | 登録日 | 2019-01-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.313 Å) | | 主引用文献 | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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6J2F
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Hendra virus-derived peptide HeV2 | | 分子名称: | HeV2, Ptal-N*01:01, beta-2 microglobulin | | 著者 | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | 登録日 | 2019-01-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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6J2H
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 mutant (Met52 Asp53 Leu54 deleted) in complex with Hendra virus-derived peptide HeV1 | | 分子名称: | Beta-2-microglobulin, HeV1, Ptal-N*01:01 (Met52 Asp53 Leu54 deleted) | | 著者 | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | 登録日 | 2019-01-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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6IX2
 | | Structure of the A214C/A250I mutant of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.48 Angstroms resolution | | 分子名称: | GLYCEROL, Microsomal epoxide hyddrolase | | 著者 | Hu, D, Hu, B.C, Hou, X.D, Rao, Y.J, Wu, M.C. | | 登録日 | 2018-12-09 | | 公開日 | 2019-12-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.478 Å) | | 主引用文献 | Structure-Guided Regulation in the Enantioselectivity of an Epoxide Hydrolase to Produce Enantiomeric Monosubstituted Epoxides and Vicinal Diols via Kinetic Resolution.
Org.Lett., 24, 2022
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6J2I
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with H17N10 influenza-like virus-derivrd peptide H17N10-NP | | 分子名称: | Beta-2-microglobulin, H17N10-NP, Ptal-N*01:01 | | 著者 | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | 登録日 | 2019-01-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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7VZF
 | | Cryo-EM structure of amyloid fibril formed by full-length human SOD1 | | 分子名称: | Superoxide dismutase [Cu-Zn] | | 著者 | Wang, L.Q, Ma, Y.Y, Yuan, H.Y, Zhao, K, Zhang, M.Y, Wang, Q, Huang, X, Xu, W.C, Chen, J, Li, D, Zhang, D.L, Zou, L.Y, Yin, P, Liu, C, Liang, Y. | | 登録日 | 2021-11-16 | | 公開日 | 2022-06-29 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | | 主引用文献 | Cryo-EM structure of an amyloid fibril formed by full-length human SOD1 reveals its conformational conversion.
Nat Commun, 13, 2022
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6J2J
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with MERS-CoV-derived peptide MERS-CoV-S3 | | 分子名称: | Beta-2-microglobulin, MERS-CoV-S3, Ptal-N*01:01 | | 著者 | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | 登録日 | 2019-01-01 | | 公開日 | 2019-09-18 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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7D9P
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12 | | 分子名称: | (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | 著者 | Liu, Q.F, Yin, W.C. | | 登録日 | 2020-10-14 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
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7D9O
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2 | | 分子名称: | (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | 著者 | Liu, Q.F, Yin, W.C. | | 登録日 | 2020-10-14 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
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7D9Q
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7 | | 分子名称: | (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | 著者 | Liu, Q.F, Yin, W.C. | | 登録日 | 2020-10-14 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
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7DWV
 | | Cryo-EM structure of amyloid fibril formed by familial prion disease-related mutation E196K | | 分子名称: | Major prion protein | | 著者 | Wang, L.Q, Zhao, K, Yuan, H.Y, Li, X.N, Dang, H.B, Ma, Y.Y, Wang, Q, Wang, C, Sun, Y.P, Chen, J, Li, D, Zhang, D.L, Yin, P, Liu, C, Liang, Y. | | 登録日 | 2021-01-18 | | 公開日 | 2021-10-13 | | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | | 主引用文献 | Genetic prion disease-related mutation E196K displays a novel amyloid fibril structure revealed by cryo-EM.
Sci Adv, 7, 2021
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8IFF
 | | Cryo-EM structure of Arabidopsis phytochrome A. | | 分子名称: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A | | 著者 | Ma, L, Zhou, C, Wang, J, Guan, Z, Yin, P. | | 登録日 | 2023-02-17 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Plant phytochrome A in the Pr state assembles as an asymmetric dimer.
Cell Res., 33, 2023
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7WBQ
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7WBP
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7WBL
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4H57
 | | Thermolysin inhibition | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Englert, L, Biela, A, Heine, A, Klebe, G. | | 登録日 | 2012-09-18 | | 公開日 | 2012-10-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin.
Angew.Chem.Int.Ed.Engl., 52, 2013
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8FLP
 | | NMR Solution Structure of LvIC analogue | | 分子名称: | Alpha-conotoxin LvIC analogue | | 著者 | Harvey, P.J, Craik, D.J. | | 登録日 | 2022-12-22 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-02-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery, Characterization, and Engineering of LvIC, an alpha 4/4-Conotoxin That Selectively Blocks Rat alpha 6/ alpha 3 beta 4 Nicotinic Acetylcholine Receptors.
J.Med.Chem., 66, 2023
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8J5D
 | | Cryo-EM structure of starch degradation complex of BAM1-LSF1-MDH | | 分子名称: | Beta-amylase 1, chloroplastic, Malate dehydrogenase, ... | | 著者 | Guan, Z.Y, Liu, J, Yan, J.J. | | 登録日 | 2023-04-21 | | 公開日 | 2024-01-10 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | The LIKE SEX FOUR 1-malate dehydrogenase complex functions as a scaffold to recruit beta-amylase to promote starch degradation.
Plant Cell, 36, 2023
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8JGR
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