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7CJM
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BU of 7cjm by Molmil
SARS CoV-2 PLpro in complex with GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
著者Fu, Z, Huang, H.
登録日2020-07-11
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery.
Nat Commun, 12, 2021
6UPV
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BU of 6upv by Molmil
Alpha-E-catenin ABD-F-actin complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Mei, L, Alushin, G.M.
登録日2019-10-18
公開日2020-09-30
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular mechanism for direct actin force-sensing by alpha-catenin.
Elife, 9, 2020
1F2K
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BU of 1f2k by Molmil
CRYSTAL STRUCTURE OF ACANTHAMOEBA CASTELLANII PROFILIN II, CUBIC CRYSTAL FORM
分子名称: PROFILIN II
著者Fedorov, A.A, Shi, W, Mahoney, N, Kaiser, D.A, Almo, S.C.
登録日2000-05-26
公開日2000-06-08
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Comparative Structural Analysis of Profilins
To be Published
6UPW
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BU of 6upw by Molmil
Metavinculin ABD-F-actin complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Mei, L, Alushin, G.M.
登録日2019-10-18
公開日2020-09-30
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular mechanism for direct actin force-sensing by alpha-catenin.
Elife, 9, 2020
7BW6
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BU of 7bw6 by Molmil
Varicella-zoster virus capsid
分子名称: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
著者Wang, P.Y, Qi, J.X, Liu, C.C, Sun, J.Q.
登録日2020-04-13
公開日2020-09-23
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of the varicella-zoster virus A-capsid.
Nat Commun, 11, 2020
1G5U
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BU of 1g5u by Molmil
LATEX PROFILIN HEVB8
分子名称: PROFILIN, SODIUM ION
著者Fedorov, A.A, Fedorov, E.V, Ganglberger, E, Breiteneder, H, Almo, S.C.
登録日2000-11-02
公開日2000-11-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A Comparative Structural Analysis of Allergen Profilins HEVB8 and BETV2
To be Published
4J51
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BU of 4j51 by Molmil
Cyrstal structure of protein tyrosine phosphatase Lyp catalytic domain complex with small molecular inhibitor L75N04
分子名称: 3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 22
著者Liu, D, He, Y, Zhang, Z.-Y.
登録日2013-02-07
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Potent and Selective Small-Molecule Inhibitor for the Lymphoid-Specific Tyrosine Phosphatase (LYP), a Target Associated with Autoimmune Diseases.
J.Med.Chem., 56, 2013
5KJ0
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BU of 5kj0 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH DB-1-264-2
分子名称: 1,2-ETHANEDIOL, 4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4
著者Zhu, J.-Y, Ember, S.W, Schonbrunn, E.
登録日2016-06-17
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Assessment of Bromodomain Target Engagement by a Series of BI2536 Analogues with Miniaturized BET-BRET.
ChemMedChem, 11, 2016
6WQ1
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BU of 6wq1 by Molmil
Eukaryotic LanCL2 protein
分子名称: LanC-like protein 2, ZINC ION
著者Nair, S.K, Garg, N.
登録日2020-04-28
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome.
Cell, 184, 2021
7FD2
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BU of 7fd2 by Molmil
Cryo-EM structure of an alphavirus, Getah virus
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 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Liu, Z, Liu, C, Wang, A.
登録日2021-07-15
公開日2022-08-10
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structure of infective Getah virus at 2.8 angstrom resolution determined by cryo-electron microscopy.
Cell Discov, 8, 2022
3LM5
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BU of 3lm5 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B
著者Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-01-29
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
6F57
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BU of 6f57 by Molmil
Crystal structure of DNMT3A-DNMT3L in complex with single CpG-containing DNA
分子名称: DNA (5'-D(*AP*GP*AP*GP*CP*GP*CP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*GP*ZP*GP*CP*TP*CP*T)-3'), DNA (cytosine-5)-methyltransferase 3-like, ...
著者Zhang, Z.M, Song, J.
登録日2017-12-01
公開日2018-01-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.098 Å)
主引用文献Structural basis for DNMT3A-mediated de novo DNA methylation.
Nature, 554, 2018
7CAL
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BU of 7cal by Molmil
Cryo-EM Structure of the Hyperpolarization-Activated Inwardly Rectifying Potassium Channel KAT1 from Arabidopsis
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Potassium channel KAT1
著者Li, S.Y, Yang, F, Sun, D.M, Zhang, Y, Zhang, M.G, Zhou, P, Liu, S.L, Zhang, Y.N, Zhang, L.H, Tian, C.L.
登録日2020-06-09
公開日2020-07-29
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of the hyperpolarization-activated inwardly rectifying potassium channel KAT1 from Arabidopsis.
Cell Res., 30, 2020
6MDD
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BU of 6mdd by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24
分子名称: 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2018-09-04
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6AGL
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BU of 6agl by Molmil
Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli
分子名称: Phospho-2-dehydro-3-deoxyheptonate aldolase, Tyr-sensitive
著者Cui, D, Qi, J, Wen, T.
登録日2018-08-13
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli.
J.Struct.Biol., 206, 2019
6AGM
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BU of 6agm by Molmil
Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli
分子名称: Phospho-2-dehydro-3-deoxyheptonate aldolase, Tyr-sensitive, TYROSINE
著者Cui, D, Qi, J, Wen, T.
登録日2018-08-13
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for feedback inhibition of tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from Escherichia coli.
J.Struct.Biol., 206, 2019
7E39
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BU of 7e39 by Molmil
SARS-CoV-2 spike in complex with the Ab4 neutralizing antibody (State 3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab4, Light Chain of Ab4, ...
著者Liu, C.
登録日2021-02-08
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7E3B
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BU of 7e3b by Molmil
SARS-Cov-2 spike in complex with the Ab5 neutralizing antibody (focused refinement on Fab-RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Ab5, Light Chain of Ab5, ...
著者Liu, C.
登録日2021-02-08
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
7E3C
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BU of 7e3c by Molmil
SARS-CoV-2 spike in complex with the Ab1 neutralizing antibody (focused refinement on Fab-RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Ab1, Light chain of Ab1, ...
著者Liu, C.
登録日2021-02-08
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Three epitope-distinct human antibodies from RenMab mice neutralize SARS-CoV-2 and cooperatively minimize the escape of mutants.
Cell Discov, 7, 2021
6MDC
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BU of 6mdc by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389
分子名称: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Fodor, M, Stams, T.
登録日2018-09-04
公開日2019-02-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MX8
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BU of 6mx8 by Molmil
Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib
分子名称: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Dougan, D.R, Zhou, T.
登録日2018-10-30
公開日2018-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
J. Med. Chem., 59, 2016
5YJ6
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BU of 5yj6 by Molmil
The exoglucanase CelS from Clostridium thermocellum
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, Dockerin type I repeat-containing protein
著者Liu, Y.J, Liu, S.Y, Dong, S, Li, R.M, Feng, Y.G, Cui, Q.
登録日2017-10-09
公開日2018-01-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Determination of the native features of the exoglucanase Cel48S from Clostridium thermocellum
Biotechnol Biofuels, 11, 2018
8T9F
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BU of 8t9f by Molmil
Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1
分子名称: DNA (122-MER), Histone H2A.Z, Histone H2B 1.1, ...
著者Abini-Agbomson, S, Armache, K.-J.
登録日2023-06-23
公開日2023-09-06
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1.
Mol.Cell, 83, 2023
8T9H
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Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1
分子名称: DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
著者Abini-Agbomson, S, Armache, K.-J.
登録日2023-06-24
公開日2023-09-13
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1.
Biorxiv, 2023
7LGS
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BU of 7lgs by Molmil
Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
著者Skene, R.J, Lane, W.
登録日2021-01-21
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mobocertinib (TAK-788): A Targeted Inhibitor of EGFR Exon 20 Insertion Mutants in Non-Small Cell Lung Cancer.
Cancer Discov, 11, 2021

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