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7DK3
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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2024-11-06
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
3SJC
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Crystal structure of S.cerevisiae Get3 in the semi-open state in complex with Get1 cytosolic domain
分子名称: ATPase GET3, Golgi to ER traffic protein 1, ZINC ION
著者Reitz, S, Wild, K, Sinning, I.
登録日2011-06-21
公開日2011-07-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for tail-anchored membrane protein biogenesis by the Get3-receptor complex.
Science, 333, 2011
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2024-10-23
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
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2024-11-06
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
3SJA
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Crystal structure of S. cerevisiae Get3 in the open state in complex with Get1 cytosolic domain
分子名称: ATPase GET3, Golgi to ER traffic protein 1, PHOSPHATE ION, ...
著者Reitz, S, Wild, K, Sinning, I.
登録日2011-06-21
公開日2011-07-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for tail-anchored membrane protein biogenesis by the Get3-receptor complex.
Science, 333, 2011
7Y3N
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Crystal structure of SARS-CoV receptor binding domain in complex with human antibody BIOLS56
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, ...
著者Rao, X, Chai, Y, Wu, Y, Gao, F.
登録日2022-06-11
公開日2023-12-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5Z8F
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Solution structure for the unique dimeric 4:2 complex of a platinum(II)-based tripod bound to a hybrid-1 human telomeric G-quadruplex
分子名称: 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline, G-quadruplex DNA (26-MER)
著者Liu, W.T, Zhong, Y.F, Liu, L.Y, Zeng, W.J, Wang, F.Y, Yang, D.Z, Mao, Z.W.
登録日2018-01-31
公開日2018-09-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structures of multiple G-quadruplex complexes induced by a platinum(II)-based tripod reveal dynamic binding
Nat Commun, 9, 2018
8WYP
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High Resolution Crystal Structure of Brd4 BD-1 in Complex with a Novel Inhibitor Precursor
分子名称: 3-bromanylimidazo[1,2-a]pyridin-6-amine, Bromodomain-containing protein 4
著者Liu, B, Ma, X.
登録日2023-10-31
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献High resolution crystal structure of BRD4-BD1 in complex with a novel inhibitor precursor.
Biochem.Biophys.Res.Commun., 690, 2024
7E7E
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BU of 7e7e by Molmil
The co-crystal structure of ACE2 with Fab
分子名称: Processed angiotensin-converting enzyme 2, ZINC ION, h11B11-Fab
著者Xiao, J.Y, Zhang, Y.
登録日2021-02-26
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献A broadly neutralizing humanized ACE2-targeting antibody against SARS-CoV-2 variants.
Nat Commun, 12, 2021
7F75
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Cryo-EM structure of Spx-dependent transcription activation complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Lin, W, Feng, Y, Shi, J.
登録日2021-06-28
公開日2021-10-13
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural basis of transcription activation by the global regulator Spx.
Nucleic Acids Res., 49, 2021
2CCA
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Crystal structure of the catalase-peroxidase (KatG) and S315T mutant from Mycobacterium tuberculosis
分子名称: PEROXIDASE/CATALASE T, PROTOPORPHYRIN IX CONTAINING FE
著者Yu, H, Sacchettini, J.C.
登録日2006-01-16
公開日2006-01-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Hydrogen Peroxide-Mediated Isoniazid Activation Catalyzed by Mycobacterium Tuberculosis Catalase-Peroxidase (Katg) and its S315T Mutant.
Biochemistry, 45, 2006
5Z80
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Solution structure for the 1:1 complex of a platinum(II)-based tripod bound to a hybrid-1 human telomeric G-quadruplex
分子名称: 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline, G-quadruplex DNA (26-MER)
著者Liu, W.T, Zhong, Y.F, Liu, L.Y, Zeng, W.J, Wang, F.Y, Yang, D.Z, Mao, Z.W.
登録日2018-01-30
公開日2018-09-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structures of multiple G-quadruplex complexes induced by a platinum(II)-based tripod reveal dynamic binding
Nat Commun, 9, 2018
2CCD
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BU of 2ccd by Molmil
Crystal structure of the catalase-peroxidase (KatG) and S315T mutant from Mycobacterium tuberculosis
分子名称: PEROXIDASE/CATALASE T, PROTOPORPHYRIN IX CONTAINING FE
著者Yu, H, Sacchettini, J.C.
登録日2006-01-16
公開日2006-01-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hydrogen Peroxide-Mediated Isoniazid Activation Catalyzed by Mycobacterium Tuberculosis Catalase- Peroxidase (Katg) and its S315T Mutant.
Biochemistry, 45, 2006
6UIF
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BU of 6uif by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称: 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide, WD repeat domain 5
著者Zhao, B.
登録日2019-09-30
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
8EXH
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BU of 8exh by Molmil
Agrobacterium tumefaciens Tpilus
分子名称: (14S,17R)-20-amino-17-hydroxy-11,17-dioxo-12,16,18-trioxa-17lambda~5~-phosphaicosan-14-yl tetradecanoate, Protein virB2
著者Beltran, L.C, Egelman, E.H.
登録日2022-10-25
公開日2023-03-22
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery
Nat Commun, 14, 2023
6UIK
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BU of 6uik by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称: 5-bromo-3-chloro-N-(1-cyclopentyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domanin 5
著者Zhao, B.
登録日2019-10-01
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UJH
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Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Phan, J, Fesik, S.W.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.493 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
8SK4
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BU of 8sk4 by Molmil
Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors)
分子名称: 2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5, IMIDAZOLE
著者Knapp, M.S, Ornelas, E.
登録日2023-04-18
公開日2023-06-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors.
Chembiochem, 2023
8SKH
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Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors
分子名称: 2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5
著者Knapp, M.S, Ornelas, E.
登録日2023-04-19
公開日2023-06-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors.
Chembiochem, 24, 2023
6UJ4
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BU of 6uj4 by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonmides as inhibitors of the WDR5-MYC interaction
分子名称: 5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide, WD repeat domain 5
著者Zhao, B.
登録日2019-10-02
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UJL
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Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UTF
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BU of 6utf by Molmil
Allosteric coupling between alpha-rings of the 20S proteasome, archaea 20S proteasome singly capped with a PAN complex
分子名称: Proteasome subunit alpha, Proteasome subunit beta
著者Cheng, Y, Yu, Z.
登録日2019-10-29
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Allosteric coupling between alpha-rings of the 20S proteasome.
Nat Commun, 11, 2020
6VG0
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CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine
著者Padyana, A, Jin, L.
登録日2020-01-07
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
6UTH
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BU of 6uth by Molmil
Allosteric coupling between alpha-rings of 20S proteasome, 20S proteasome singly capped with a PA26/E102A_PANc, together with LFP incubation
分子名称: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
著者Cheng, Y, Yu, Z.
登録日2019-10-29
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Allosteric coupling between alpha-rings of the 20S proteasome.
Nat Commun, 11, 2020
6UTJ
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Allosteric couple between alpha rings of the 20S proteasome. 20S proteasome singly capped by PA26/E102A, C-terminus replaced by PAN C-terminus
分子名称: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
著者Cheng, Y, Yu, Z.
登録日2019-10-29
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Allosteric coupling between alpha-rings of the 20S proteasome.
Nat Commun, 11, 2020

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