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4R5Y
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BU of 4r5y by Molmil
The complex structure of Braf V600E kinase domain with a novel Braf inhibitor
分子名称: 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf
著者Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M.
登録日2014-08-22
公開日2016-02-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14, 2015
8G85
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BU of 8g85 by Molmil
vFP52.02 Fab in complex with BG505 DS-SOSIP Env trimer
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, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2023-02-17
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.99 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
2VSL
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BU of 2vsl by Molmil
Crystal Structure of XIAP BIR3 with a Bivalent Smac Mimetic
分子名称: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, PEPTIDE (MAA-LYS-PRO-PHE), POLYETHYLENE GLYCOL (N=34), ...
著者Meagher, J.L, Stuckey, J.A.
登録日2008-04-24
公開日2008-09-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Interaction of a Cyclic, Bivalent Smac Mimetic with the X-Linked Inhibitor of Apoptosis Protein.
Biochemistry, 47, 2008
3TL8
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BU of 3tl8 by Molmil
The AvrPtoB-BAK1 complex reveals two structurally similar kinaseinteracting domains in a single type III effector
分子名称: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1, Effector protein HopAB2
著者Chai, J, Cheng, W, Gao, H.
登録日2011-08-29
公開日2012-01-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analysis of Pseudomonas syringae AvrPtoB Bound to Host BAK1 Reveals Two Similar Kinase-Interacting Domains in a Type III Effector.
Cell Host Microbe, 10, 2011
8G9W
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BU of 8g9w by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 1)
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, Envelope glycoprotein gp120, ...
著者Changela, A, Gorman, J, Kwong, P.D.
登録日2023-02-22
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.66 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G9Y
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BU of 8g9y by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 3)
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, Envelope glycoprotein gp120, ...
著者Changela, A, Gorman, J, Kwong, P.D.
登録日2023-02-22
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.28 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8GAS
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BU of 8gas by Molmil
vFP48.02 Fab in complex with BG505 DS-SOSIP Env trimer
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, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2023-02-23
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G9X
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BU of 8g9x by Molmil
Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 2)
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, Envelope glycoprotein gp120, ...
著者Changela, A, Gorman, J, Kwong, P.D.
登録日2023-02-22
公開日2023-04-19
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.46 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
6K2U
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BU of 6k2u by Molmil
Crystal structure of Thr66 ADP-ribosylated ubiquitin
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, Polyubiquitin-C, ...
著者Wang, X, Zhou, Y, Zhu, Y.
登録日2019-05-15
公開日2020-03-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.554 Å)
主引用文献Threonine ADP-Ribosylation of Ubiquitin by a Bacterial Effector Family Blocks Host Ubiquitination.
Mol.Cell, 78, 2020
7V6A
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BU of 7v6a by Molmil
Cry-EM structure of M4-c110-G protein complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7V68
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BU of 7v68 by Molmil
An Agonist and PAM-bound Class A GPCR with Gi protein complex structure
分子名称: 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, J.J, Wu, L.J, Wu, M, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7V69
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BU of 7v69 by Molmil
Cryo-EM structure of a class A GPCR-G protein complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wang, J.J, Wu, M, Wu, L.J, Hua, T, Liu, Z.J, Wang, T.
登録日2021-08-20
公開日2022-05-11
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.
Nat Commun, 13, 2022
7LQH
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BU of 7lqh by Molmil
Cryo-EM of KFE8 thinner nanotube (class 2, 2-sub-1)
分子名称: KFE8 peptide
著者Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P.
登録日2021-02-13
公開日2021-06-30
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Deterministic chaos in the self-assembly of beta sheet nanotubes from an amphipathic oligopeptide.
Matter, 4, 2021
7LQF
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BU of 7lqf by Molmil
Cryo-EM of KFE8 ribbon filament
分子名称: KFE8 peptide
著者Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P.
登録日2021-02-13
公開日2021-06-30
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Deterministic chaos in the self-assembly of beta sheet nanotubes from an amphipathic oligopeptide.
Matter, 4, 2021
7LQI
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BU of 7lqi by Molmil
Cryo-EM of KFE8 thicker nanotube
分子名称: KFE8 peptide
著者Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P.
登録日2021-02-13
公開日2021-06-30
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Deterministic chaos in the self-assembly of beta sheet nanotubes from an amphipathic oligopeptide.
Matter, 4, 2021
7LQE
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BU of 7lqe by Molmil
Cryo-EM of 1-protofilament of the KFE8 thinner nanotube
分子名称: KFE8 peptide
著者Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P.
登録日2021-02-13
公開日2021-06-30
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Deterministic chaos in the self-assembly of beta sheet nanotubes from an amphipathic oligopeptide.
Matter, 4, 2021
7LQG
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BU of 7lqg by Molmil
Cryo-EM of the KFE8 thinner nanotube (class 1, C2)
分子名称: KFE8 peptide
著者Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P.
登録日2021-02-13
公開日2021-06-30
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Deterministic chaos in the self-assembly of beta sheet nanotubes from an amphipathic oligopeptide.
Matter, 4, 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
5SQU
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BU of 5squ by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250004627335
分子名称: DIMETHYL SULFOXIDE, N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, 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
5SR7
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BU of 5sr7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4914649782 - (R,R,S) and (S,S,R) isomers
分子名称: (1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid, (1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-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
5SQ5
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BU of 5sq5 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894407 - (R,S) and (S,S) isomers
分子名称: (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-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

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