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7DCC
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BU of 7dcc by Molmil
S-3C1-F3b structure, all the three RBDs are in the up conformation and each of them associates with a 3C1 Fab
分子名称: Spike glycoprotein, The heavy chain of 3C1 fab, The light chain of 3C1 fab
著者Cong, Y, Liu, C.X.
登録日2020-10-24
公開日2020-12-02
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
7DK3
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BU of 7dk3 by Molmil
SARS-CoV-2 S trimer, S-open
分子名称: Spike glycoprotein
著者Xu, C, Cong, Y.
登録日2020-11-23
公開日2020-12-16
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM.
Sci Adv, 7, 2021
7DF3
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SARS-CoV-2 S trimer, S-closed
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, Spike glycoprotein
著者Cong, X, Yao, C.
登録日2020-11-06
公開日2020-12-16
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM.
Sci Adv, 7, 2021
7DF4
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SARS-CoV-2 S-ACE2 complex
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, Angiotensin-converting enzyme 2, ...
著者Cong, X, Yao, C.
登録日2020-11-06
公開日2020-12-16
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM.
Sci Adv, 7, 2021
6LOI
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BU of 6loi by Molmil
Crystal structure of Enterococcus faecalis Undecaprenyl pyrophosphate synthase(EfaUPPS)
分子名称: Isoprenyl transferase
著者Lin, W, Wang, C.Y, Li, W.J, Wang, F.L.
登録日2020-01-05
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Investigations into the Antibacterial Mechanism of Action of Viridicatumtoxins.
Acs Infect Dis., 6, 2020
9BOQ
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BU of 9boq by Molmil
Human p97/VCP structure with a triazole inhibitor (NSC799462/dodecamer)
分子名称: 3-(2,6-difluoro-4-{[(4P)-5-{[(2S)-hexan-2-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Nandi, P, DeVore, K, Chiu, P.-L.
登録日2024-05-05
公開日2024-08-21
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors.
Commun Chem, 7, 2024
9BXQ
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BU of 9bxq by Molmil
Paired Helical Filaments purified from Down Syndrome individual brain tissue applied to graphene oxide antibody affinity grids
分子名称: Microtubule-associated protein tau
著者Tse, E, Ghosh, U, Condello, C, Southworth, D.
登録日2024-05-22
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures reveal tau filaments from Down syndrome adopt Alzheimer's disease fold.
Acta Neuropathol Commun, 12, 2024
9BXO
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BU of 9bxo by Molmil
Straight Filament of tau amyloids found in Down Syndrome individuals
分子名称: Microtubule-associated protein tau
著者Tse, E, Ghosh, U, Condello, C, Southworth, D.
登録日2024-05-22
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structures reveal tau filaments from Down syndrome adopt Alzheimer's disease fold.
Acta Neuropathol Commun, 12, 2024
9BXR
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Straight Filaments purified from Down Syndrome individual brain tissue applied to graphene oxide antibody affinity grids
分子名称: Microtubule-associated protein tau
著者Tse, E, Ghosh, U, Condello, C, Southworth, D.
登録日2024-05-22
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures reveal tau filaments from Down syndrome adopt Alzheimer's disease fold.
Acta Neuropathol Commun, 12, 2024
6KS6
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BU of 6ks6 by Molmil
TRiC at 0.2 mM ADP-AlFx, Conformation 1, 0.2-C1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
著者Jin, M, Cong, Y.
登録日2019-08-23
公開日2019-09-18
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity.
Proc.Natl.Acad.Sci.USA, 116, 2019
7D8T
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BU of 7d8t by Molmil
MITF bHLHLZ complex with M-box DNA
分子名称: DNA (5'-D(*TP*GP*TP*AP*AP*CP*AP*TP*GP*TP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*AP*CP*AP*CP*AP*TP*GP*TP*TP*AP*CP*AP*G)-3'), Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8R
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MITF HLHLZ structure
分子名称: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8S
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BU of 7d8s by Molmil
MITF bHLHLZ apo structure
分子名称: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit, SULFATE ION
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
5XL6
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BU of 5xl6 by Molmil
The structure of hemagglutinin Q226L mutant from a avian-origin H4N6 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
著者Song, H, Qi, J, Gao, F.G.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5XL7
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BU of 5xl7 by Molmil
The structure of hemagglutinin Q226L mutant from an avian-origin H4N6 influenza virus in complex with human receptor analog LSTc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5XL4
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BU of 5xl4 by Molmil
The structure of hemagglutinin from an avian-origin H4N6 influenza virus in complex with human receptor analog Lstc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5XLA
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BU of 5xla by Molmil
The structure of hemagglutinin G228S mutant from an avian-origin H4N6 influenza virus in complex with human receptor analog LSTc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5XL8
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The structure of hemagglutinin G228S mutant from a avian-origin H4N6 influenza virus (A/duck/Czech/1956)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
著者Song, H, Qi, J, Gao, G.F.
登録日2017-05-10
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5X74
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The crystal Structure PDE delta in complex with compound (R, R)-1g
分子名称: (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
登録日2017-02-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5OEP
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BU of 5oep by Molmil
Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481
分子名称: Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
著者Futterer, K, Batt, S.M, Besra, G.S.
登録日2017-07-09
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OEL
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BU of 5oel by Molmil
Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1
分子名称: Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate
著者Futterer, K, Batt, S.M, Besra, G.S.
登録日2017-07-08
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OEQ
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BU of 5oeq by Molmil
Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020
分子名称: Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
著者Futterer, K, Batt, S.M, Besra, G.S.
登録日2017-07-09
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
5KTU
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BU of 5ktu by Molmil
Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold
分子名称: 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-07-12
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
7MXN
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PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999
分子名称: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
登録日2021-05-19
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MX7
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PRMT5:MEP50 complexed with inhibitor PF-06939999
分子名称: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
登録日2021-05-18
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022

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件を2024-08-28に公開中

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