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6IYO
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BU of 6iyo by Molmil
Crystal Structure of the acyltransferase domain from the second module of the salinomycin polyketide synthase
分子名称: Type I modular polyketide synthase
著者Zhang, F, Zheng, J.
登録日2018-12-17
公開日2019-07-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Insights into the Substrate Specificity of Acyltransferases from Salinomycin Polyketide Synthase.
Biochemistry, 58, 2019
6IYT
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BU of 6iyt by Molmil
Crystal Structure of the acyltransferase domain from second module 14 of salinomycin polyketide synthase
分子名称: Type I modular polyketide synthase
著者Zhang, F, Zheng, J.
登録日2018-12-17
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural Insights into the Substrate Specificity of Acyltransferases from Salinomycin Polyketide Synthase.
Biochemistry, 58, 2019
4JIK
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BU of 4jik by Molmil
X-RAY Crystal structure of compound 22a (R)-2-(4-chlorophenyl)-8-(piperidin-3-ylamino)imidazo[1,2-c]pyrimidine-5-carboxamide bound to human chk1 kinase domain
分子名称: 2-(4-chlorophenyl)-8-[(3S)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide, Serine/threonine-protein kinase Chk1
著者Fischmann, T.O.
登録日2013-03-06
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potency switch between CHK1 and MK2: discovery of imidazo[1,2-a]pyrazine- and imidazo[1,2-c]pyrimidine-based kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6M71
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BU of 6m71 by Molmil
SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors
分子名称: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase
著者Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z.
登録日2020-03-16
公開日2020-04-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
6IYR
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BU of 6iyr by Molmil
Crystal Structure of the acyltransferase domain from module 8 of the salinomycin polyketide synthase
分子名称: PHOSPHATE ION, Type I modular polyketide synthase
著者Zhang, F, Zheng, J.
登録日2018-12-17
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Insights into the Substrate Specificity of Acyltransferases from Salinomycin Polyketide Synthase.
Biochemistry, 58, 2019
7XCZ
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BU of 7xcz by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement)
分子名称: BA7054 fab, BA7125 fab, Spike glycoprotein
著者Liu, Z, Liu, S.
登録日2022-03-26
公開日2023-03-01
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab
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, BA7054 fab, ...
著者Liu, Z, Lui, S, Gao, Y.
登録日2022-03-27
公開日2023-03-01
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDB
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BU of 7xdb by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab
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, BA7208 fab, ...
著者Liu, Z, Liu, S, Gao, Y.Z.
登録日2022-03-26
公開日2023-03-01
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDA
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BU of 7xda by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7208 and BA7125 fab (local refinement)
分子名称: BA7125 fab, BA7208 fab, Spike glycoprotein
著者Liu, Z, Liu, S, Liu, S.
登録日2022-03-26
公開日2023-03-01
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDL
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BU of 7xdl by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab
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, BA7125 fab, ...
著者Liu, Z, Liu, S, Yuanzhu, G.
登録日2022-03-27
公開日2023-03-15
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
6LP7
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BU of 6lp7 by Molmil
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
6LP6
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BU of 6lp6 by Molmil
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
6LP8
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BU of 6lp8 by Molmil
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
6LZE
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BU of 6lze by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11a
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-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, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
登録日2020-02-19
公開日2020-04-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.505 Å)
主引用文献Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
7XRW
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BU of 7xrw by Molmil
Solution structure of T. brucei RAP1
分子名称: Repressor activator protein 1
著者Yang, X, Pan, X.H, Ji, Z.Y, Wong, K.B, Zhang, M.J, Zhao, Y.X.
登録日2022-05-12
公開日2023-03-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The RRM-mediated RNA binding activity in T. brucei RAP1 is essential for VSG monoallelic expression.
Nat Commun, 14, 2023
2KIA
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BU of 2kia by Molmil
Solution structure of Myosin VI C-terminal cargo-binding domain
分子名称: Myosin-VI
著者Feng, W, Yu, C, Wei, Z, Miyanoiri, Y, Zhang, M.
登録日2009-04-29
公開日2009-09-29
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Myosin VI undergoes cargo-mediated dimerization
Cell(Cambridge,Mass.), 138, 2009
5Y83
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BU of 5y83 by Molmil
Crystal structure of YidC from Thermotoga maritima
分子名称: Membrane protein insertase YidC
著者Huang, Y, Xin, Y.
登録日2017-08-18
公開日2018-07-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.842 Å)
主引用文献Structure of YidC from Thermotoga maritima and its implications for YidC-mediated membrane protein insertion
FASEB J., 32, 2018
7KHL
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BU of 7khl by Molmil
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
7KHH
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BU of 7khh by Molmil
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
5Y82
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BU of 5y82 by Molmil
Crystal structure of the periplasmic domain of the Thermotoga maritima YidC
分子名称: Membrane protein insertase YidC
著者Huang, Y, Xin, Y.
登録日2017-08-18
公開日2018-07-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.517 Å)
主引用文献Structure of YidC from Thermotoga maritima and its implications for YidC-mediated membrane protein insertion
FASEB J., 32, 2018
8H41
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BU of 8h41 by Molmil
Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol
分子名称: MAGNESIUM ION, O-NITROPHENOL, Salicylate decarboxylase
著者Gao, J, Zhao, Y.P, Li, Q, Liu, W.D, Sheng, X.
登録日2022-10-09
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase
Catalysts, 12, 2022
7XYT
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BU of 7xyt by Molmil
Crystal structure of ZER1 bound to AFLH degron
分子名称: Protein zer-1 homolog
著者Dong, C, Yan, X, Li, Y.
登録日2022-06-02
公開日2022-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献CRL2 ZER1/ZYG11B recognizes small N-terminal residues for degradation.
Nat Commun, 13, 2022
8WCW
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BU of 8wcw by Molmil
Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the IFapo state
分子名称: ABC transporter transmembrane region, Transmembrane ATP-binding protein ABC transporter
著者Yu, J, Li, J.
登録日2023-09-14
公開日2025-03-26
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site.
Nat Commun, 16, 2025
8WCX
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BU of 8wcx by Molmil
Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the AMPPNP-bound IFasym-1 state
分子名称: ABC transporter transmembrane region, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Yu, J, Li, J.
登録日2023-09-14
公開日2025-03-26
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site.
Nat Commun, 16, 2025
9IQE
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BU of 9iqe by Molmil
Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ADP-bound IFasym-3 (peptidisc) state (ATP 37degrees C treated)
分子名称: ABC transporter transmembrane region, ABC transporter, ATP-binding protein, ...
著者Lan, Y, Li, J.
登録日2024-07-12
公開日2025-05-14
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site.
Nat Commun, 16, 2025

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