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6NSV
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BU of 6nsv by Molmil
Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated optimized peptide
分子名称: ACE-LEU-TRP-TRP-PRO-ASP, CHLORIDE ION, E3 ubiquitin-protein ligase CHIP, ...
著者Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E.
登録日2019-01-25
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.305 Å)
主引用文献Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases.
Nat.Chem.Biol., 15, 2019
6XMJ
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BU of 6xmj by Molmil
Human 20S proteasome bound to an engineered 11S (PA26) activator
分子名称: Proteasome activator protein PA26, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
著者de la Pena, A.H, Opoku-Nsiah, K.A, Williams, S.K, Chopra, N, Sali, A, Gestwicki, J.E, Lander, G.C.
登録日2020-06-30
公開日2020-07-22
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The Y Phi motif defines the structure-activity relationships of human 20S proteasome activators.
Nat Commun, 13, 2022
6EFK
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BU of 6efk by Molmil
Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated HSP70 peptide
分子名称: ACE-ILE-GLU-GLU-VAL-ASP, E3 ubiquitin-protein ligase CHIP, SODIUM ION
著者Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E.
登録日2018-08-16
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases.
Nat.Chem.Biol., 15, 2019
8G7O
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BU of 8g7o by Molmil
ATP- and mtHsp10-bound mtHsp60 V72I focus
分子名称: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ...
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7L
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BU of 8g7l by Molmil
ATP-bound mtHsp60 V72I
分子名称: 60 kDa heat shock protein, mitochondrial, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7J
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mtHsp60 V72I apo
分子名称: 60 kDa heat shock protein, mitochondrial
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7M
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BU of 8g7m by Molmil
ATP-bound mtHsp60 V72I focus
分子名称: 60 kDa heat shock protein, mitochondrial, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7N
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BU of 8g7n by Molmil
ATP- and mtHsp10-bound mtHsp60 V72I
分子名称: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ...
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8G7K
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BU of 8g7k by Molmil
mtHsp60 V72I apo focus
分子名称: 60 kDa heat shock protein, mitochondrial
著者Braxton, J.R, Shao, H, Tse, E, Gestwicki, J.E, Southworth, D.R.
登録日2023-02-16
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Asymmetric apical domain states of mitochondrial Hsp60 coordinate substrate engagement and chaperonin assembly.
Biorxiv, 2023
8FYU
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BU of 8fyu by Molmil
Crystal structure of the human CHIP-TPR domain in complex with a 10mer acetylated tau peptide
分子名称: ACE-SER-SER-THR-GLY-SER-ILE-ASP-MET-VAL-ASP, E3 ubiquitin-protein ligase CHIP
著者Wucherer, K, Bohn, M.F, Basu, K, Nadel, C.M, Gestwicki, J.E, Craik, C.S.
登録日2023-01-26
公開日2023-08-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.84839141 Å)
主引用文献Phosphorylation of a Cleaved Tau Proteoform at a Single Residue Inhibits Binding to the E3 Ubiquitin Ligase, CHIP.
Biorxiv, 2023
8GCK
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BU of 8gck by Molmil
Crystal structure of the human CHIP-TPR domain in complex with a 6mer acetylated tau peptide
分子名称: ACE-SER-ILE-ASP-MET-VAL-ASP, E3 ubiquitin-protein ligase CHIP
著者Wucherer, K, Bohn, M.F, Basu, K, Nadel, C.M, Gestwicki, J.E, Craik, C.S.
登録日2023-03-02
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.36823535 Å)
主引用文献Intersecting PTMs regulate clearance of pathogenic tau by the ubiquitin ligase CHIP.
To Be Published
8SUV
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BU of 8suv by Molmil
CHIP-TPR in complex with the C-terminus of CHIC2
分子名称: Cysteine-rich hydrophobic domain-containing protein 2, E3 ubiquitin-protein ligase CHIP, SULFATE ION
著者Cupo, A.R, McDermott, L.E, DeSilva, A.R, Callahan, M, Nix, J.C, Gestwicki, J.E, Page, R.C.
登録日2023-05-13
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Interaction with the membrane-anchored protein CHIC2 constrains the ubiquitin ligase activity of CHIP
Biorxiv, 2023
2KHO
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BU of 2kho by Molmil
NMR-RDC / XRAY structure of E. coli HSP70 (DNAK) chaperone (1-605) complexed with ADP and substrate
分子名称: Heat shock protein 70
著者Zuiderweg, E.R.P, Bertelsen, E.B.
登録日2009-04-10
公開日2009-05-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution conformation of wild-type E. coli Hsp70 (DnaK) chaperone complexed with ADP and substrate.
Proc.Natl.Acad.Sci.USA, 106, 2009
7KQP
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BU of 7kqp by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form)
分子名称: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KQW
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BU of 7kqw by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KQO
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BU of 7kqo by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (P43 crystal form)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-17
公開日2020-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KR0
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BU of 7kr0 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-18
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7KR1
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BU of 7kr1 by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K)
分子名称: Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-11-18
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7L7J
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BU of 7l7j by Molmil
Cryo-EM structure of Hsp90:p23 closed-state complex
分子名称: Heat shock protein HSP 90-alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Prostaglandin E synthase 3
著者Lee, K, Thwin, A.C, Tse, E, Gates, S.N, Southworth, D.R.
登録日2020-12-28
公開日2021-08-25
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The structure of an Hsp90-immunophilin complex reveals cochaperone recognition of the client maturation state.
Mol.Cell, 81, 2021
7L7I
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BU of 7l7i by Molmil
Cryo-EM structure of Hsp90:FKBP51:p23 closed-state complex
分子名称: Heat shock protein HSP 90-alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Lee, K, Thwin, A.C, Tse, E, Gates, S.N, Southworth, D.R.
登録日2020-12-28
公開日2021-08-25
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The structure of an Hsp90-immunophilin complex reveals cochaperone recognition of the client maturation state.
Mol.Cell, 81, 2021
5SPY
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BU of 5spy by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL300019621104
分子名称: 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(1H-tetrazol-5-yl)sulfanyl]ethan-1-one, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SQJ
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BU of 5sqj by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5021668601
分子名称: (1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, DIMETHYL SULFOXIDE, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SQ8
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BU of 5sq8 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1445261766
分子名称: 3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzothiophene-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SQD
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BU of 5sqd by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894382 - (R,R) and (S,S) isomers
分子名称: (1R,2R)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SQP
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BU of 5sqp by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5028367859 - (S) isomer
分子名称: (8S)-6-(6-anilinopyrimidin-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023

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