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7F1T
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Crystal structure of the human chemokine receptor CCR5 in complex with MIP-1a
分子名称: C-C motif chemokine 3,C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ZINC ION
著者Zhang, H, Chen, K, Tan, Q, Han, S, Zhu, Y, Zhao, Q, Wu, B.
登録日2021-06-09
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for chemokine recognition and receptor activation of chemokine receptor CCR5.
Nat Commun, 12, 2021
7F1Q
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BU of 7f1q by Molmil
Cryo-EM structure of the chemokine receptor CCR5 in complex with MIP-1a and Gi
分子名称: C-C motif chemokine 3,C-C chemokine receptor type 5, 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, ...
著者Zhang, H, Chen, K, Tan, Q, Han, S, Zhu, Y, Zhao, Q, Wu, B.
登録日2021-06-09
公開日2021-07-14
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for chemokine recognition and receptor activation of chemokine receptor CCR5.
Nat Commun, 12, 2021
7XQE
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Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039
分子名称: 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ...
著者Wu, X, Li, C, Zhang, Y, Xu, Y.
登録日2022-05-07
公開日2023-05-31
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer.
Acta Pharmacol.Sin., 2024
6L69
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BU of 6l69 by Molmil
Crystal structure of CYP154C2 from Streptomyces avermitilis
分子名称: Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
著者Xu, L.H, Fushinobu, S.
登録日2019-10-28
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Regio- and stereoselective hydroxylation of testosterone by a novel cytochrome P450 154C2 from Streptomyces avermitilis.
Biochem.Biophys.Res.Commun., 522, 2020
8K98
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BU of 8k98 by Molmil
Cryo-EM structure of DSR2-TTP
分子名称: a protein
著者Zhang, H, Li, Z, Li, X.Z.
登録日2023-07-31
公開日2024-05-01
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
8K9A
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BU of 8k9a by Molmil
Cryo-EM structure of DSR2-DSAD1 state 2
分子名称: SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI
著者Zhang, H, Li, Z, Li, X.Z.
登録日2023-07-31
公開日2024-05-01
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Insights into the modulation of bacterial NADase activity by phage proteins.
Nat Commun, 15, 2024
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
6JPE
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BU of 6jpe by Molmil
Crystal structure of FGFR4 kinase domain with irreversible inhibitor 1
分子名称: Fibroblast growth factor receptor 4, N-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide, SULFATE ION
著者Chen, X, Dai, S, Zhou, Z, Chen, Y.
登録日2019-03-26
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Development of a Potent and Specific FGFR4 Inhibitor for the Treatment of Hepatocellular Carcinoma.
J.Med.Chem., 63, 2020
6KFW
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The cytochrome P450 enzyme CxnD for C-S bond formation in chuangxinmycin biosynthesis
分子名称: (2R)-3-(1H-indol-3-yl)-2-methylsulfanyl-propanoic acid, CxnD, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hong, B.
登録日2019-07-09
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Cytochrome P450 Catalyzing C-S Bond Formation in S-Heterocyclization of Chuangxinmycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DHJ
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BU of 7dhj by Molmil
The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pent-4-ynamide
分子名称: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide, 3C-like proteinase
著者Shang, L.Q, Wang, H, Deng, W.L, Xing, S, Wang, Y.X.
登録日2020-11-15
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.962 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGB
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BU of 7dgb by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-4-methyl-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pentanamide
分子名称: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.678 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGH
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BU of 7dgh by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-2-naphthamide
分子名称: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGF
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BU of 7dgf by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)hexanamide
分子名称: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.639 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGG
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BU of 7dgg by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide
分子名称: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
7DGI
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BU of 7dgi by Molmil
The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
分子名称: 3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
5TUH
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BU of 5tuh by Molmil
Archaellum periplasmic stator protein FlaG from Sulfolobus acidocaldarius
分子名称: Flagellar biosynthesis protein FlaG, GLYCEROL
著者Tsai, C.-L, Tainer, J.A.
登録日2016-11-06
公開日2018-01-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.929 Å)
主引用文献The structure of the periplasmic FlaG-FlaF complex and its essential role for archaellar swimming motility.
Nat Microbiol, 5, 2020
7WUQ
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BU of 7wuq by Molmil
Tethered peptide activation mechanism of adhesion GPCRs ADGRG2 and ADGRG4
分子名称: Adhesion G-protein coupled receptor G2,mCherry, 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, ...
著者He, Q.T, Guo, S.C, Xiao, P, Sun, J.P, Yu, X, Gou, L, Kong, L.L, Zhang, L.
登録日2022-02-09
公開日2022-04-27
最終更新日2022-05-11
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Tethered peptide activation mechanism of the adhesion GPCRs ADGRG2 and ADGRG4.
Nature, 604, 2022
8HZT
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BU of 8hzt by Molmil
Bacillus subtilis SepF protein assembly (G137N mutant)
分子名称: Cell division protein SepF
著者Liu, W.
登録日2023-01-09
公開日2024-02-14
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Molecular basis for curvature formation in SepF polymerization.
Proc.Natl.Acad.Sci.USA, 121, 2024
7Y4H
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AcvX from Actinomadura viridis that exhibits deglycosylation activity on lobophorins
分子名称: AcvX
著者Tan, B, Zhang, L.P, Zhang, C.S.
登録日2022-06-14
公開日2023-05-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Widespread Glycosidase Confers Lobophorin Resistance and Host-Dependent Structural Diversity.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HZQ
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BU of 8hzq by Molmil
Bacillus subtilis SepF protein assembly (wild type)
分子名称: Cell division protein SepF
著者Liu, W.
登録日2023-01-09
公開日2024-02-14
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Molecular basis for curvature formation in SepF polymerization.
Proc.Natl.Acad.Sci.USA, 121, 2024
7VOP
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BU of 7vop by Molmil
Cryo-EM structure of Xenopus laevis nuclear pore complex cytoplasmic ring subunit
分子名称: GATOR complex protein SEC13, IL4I1 protein, MGC154553 protein, ...
著者Tai, L, Zhu, Y, Sun, F.
登録日2021-10-14
公開日2022-02-02
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (8.7 Å)
主引用文献8 angstrom structure of the outer rings of the Xenopus laevis nuclear pore complex obtained by cryo-EM and AI.
Protein Cell, 13, 2022
7VCI
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BU of 7vci by Molmil
Structure of Xenopus laevis NPC nuclear ring asymmetric unit
分子名称: GATOR complex protein SEC13, MGC154553 protein, MGC83295 protein, ...
著者Tai, L, Zhu, Y, Sun, F.
登録日2021-09-03
公開日2022-02-02
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (8.1 Å)
主引用文献8 angstrom structure of the outer rings of the Xenopus laevis nuclear pore complex obtained by cryo-EM and AI.
Protein Cell, 13, 2022
2GKD
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BU of 2gkd by Molmil
Structural insight into self-sacrifice mechanism of enediyne resistance
分子名称: 5'-D(*CP*TP*AP*TP*CP*AP*TP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*AP*TP*GP*AP*TP*AP*G)-3', CalC
著者Singh, S, Thorson, J.S.
登録日2006-04-01
公開日2006-08-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural insight into the self-sacrifice mechanism of enediyne resistance.
Acs Chem.Biol., 1, 2006
7XHE
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BU of 7xhe by Molmil
Crystal structure of CBP bromodomain liganded with CCS151
分子名称: (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
著者Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
登録日2022-04-08
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022
7XH6
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Crystal structure of CBP bromodomain liganded with CCS1477
分子名称: (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
著者Xu, H, Xiang, Q, Wang, C, Zhang, C, Luo, G, Wu, X, Zhang, Y, Xu, Y.
登録日2022-04-07
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain
Biochem.Biophys.Res.Commun., 623, 2022

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