7YUI
 
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7BOK
 | | Cryo-EM structure of the encapsulated DyP-type peroxidase from Mycobacterium smegmatis | | 分子名称: | Dyp-type peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H. | | 登録日 | 2020-03-19 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7BOJ
 | | Cryo-EM structure of the encapsulin shell from Mycobacterium smegmatis | | 分子名称: | 29 kDa antigen Cfp29 | | 著者 | Tang, Y.T, Mu, A, Gong, H.R, Wang, Q, Rao, Z.H. | | 登録日 | 2020-03-19 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Cryo-EM structure of Mycobacterium smegmatis DyP-loaded encapsulin.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6LP7
 | | Crystal structure of human DHODH in complex with inhibitor 0944 | | 分子名称: | 3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Chen, Q, Yu, Y. | | 登録日 | 2020-01-09 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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7CVQ
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7CVO
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6LP6
 | | Crystal structure of human DHODH in complex with inhibitor 1214 | | 分子名称: | 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Chen, Q, Yu, Y. | | 登録日 | 2020-01-09 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.795 Å) | | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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6LP8
 | | Crystal structure of human DHODH in complex with inhibitor 1243 | | 分子名称: | 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Chen, Q, Yu, Y. | | 登録日 | 2020-01-09 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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6LT8
 | | HSP90 in complex with KW-2478 | | 分子名称: | 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide, Heat shock protein HSP 90-alpha | | 著者 | Cao, H.L. | | 登録日 | 2020-01-21 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.593 Å) | | 主引用文献 | Anti-NSCLC activity in vitro of Hsp90 N inhibitor KW-2478 and complex crystal structure determination of Hsp90 N -KW-2478.
J.Struct.Biol., 213, 2021
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3UEJ
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3UGL
 | | Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta | | 分子名称: | PHOSPHATE ION, Proteine kinase C delta type, ZINC ION, ... | | 著者 | Shanmugasundararaj, S, Stehle, T, Miller, K.W. | | 登録日 | 2011-11-02 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.357 Å) | | 主引用文献 | Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012
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6LR9
 | | HSP90 in complex with Debio0932 | | 分子名称: | 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine, GLYCEROL, Heat shock protein HSP 90-alpha | | 著者 | Cao, H.L. | | 登録日 | 2020-01-15 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.196 Å) | | 主引用文献 | Complex crystal structure determination and anti-non-small-cell lung cancer activity of the Hsp90 N inhibitor Debio0932.
Acta Crystallogr D Struct Biol, 77, 2021
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3UFF
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3UGI
 | | Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta | | 分子名称: | (methoxymethyl)cyclopropane, PHOSPHATE ION, Protein kinase C delta type, ... | | 著者 | Shanmugasundararaj, S, Stehle, T, Miller, K.W. | | 登録日 | 2011-11-02 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.361 Å) | | 主引用文献 | Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012
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3UEY
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6M1K
 | | USP7 in complex with a novel inhibitor | | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate | | 著者 | Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A. | | 登録日 | 2020-02-26 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.255 Å) | | 主引用文献 | N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies.
Eur.J.Med.Chem., 199, 2020
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5ZXK
 | | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP | | 分子名称: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1 | | 著者 | Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H. | | 登録日 | 2018-05-21 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
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6LTK
 | | HSP90 in complex with SNX-2112 | | 分子名称: | 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha | | 著者 | Cao, H.L. | | 登録日 | 2020-01-22 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.141 Å) | | 主引用文献 | Complex Crystal Structure Determination and in vitro Anti-non-small Cell Lung Cancer Activity of Hsp90 N Inhibitor SNX-2112.
Front Cell Dev Biol, 9, 2021
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5JNX
 | | The 6.6 A cryo-EM structure of the full-length human NPC1 in complex with the cleaved glycoprotein of Ebola virus | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ... | | 著者 | Gong, X, Qian, H.W, Zhou, X.H, Wu, J.P, Wan, T, Shi, Y, Gao, F, Zhou, Q, Yan, N. | | 登録日 | 2016-05-01 | | 公開日 | 2016-06-15 | | 最終更新日 | 2020-08-05 | | 実験手法 | ELECTRON MICROSCOPY (6.56 Å) | | 主引用文献 | Structural Insights into the Niemann-Pick C1 (NPC1)-Mediated Cholesterol Transfer and Ebola Infection
Cell, 165, 2016
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6XQI
 | | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A | | 分子名称: | ASN-PRO-LEU-GLU-PHE-LEU, Protein Vpr, UV excision repair protein RAD23 homolog A, ... | | 著者 | Calero, G.C, Wu, Y, Weiss, S.C. | | 登録日 | 2020-07-09 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A.
Nat Commun, 12, 2021
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6XQJ
 | | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A | | 分子名称: | Protein Vpr,UV excision repair protein RAD23 homolog A, ZINC ION | | 著者 | Byeon, I.-J.L, Calero, G, Wu, Y, Byeon, C.H, Gronenborn, A.M. | | 登録日 | 2020-07-09 | | 公開日 | 2021-11-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A.
Nat Commun, 12, 2021
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5GMZ
 | | Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine | | 分子名称: | (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | 著者 | Xu, Z.H, Zhou, Z. | | 登録日 | 2016-07-18 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
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8W6A
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8W6B
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7CA8
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin | | 分子名称: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | | 著者 | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | | 登録日 | 2020-06-08 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode.
Sci Bull (Beijing), 66, 2021
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