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8H3Z
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Crystal structure of the effector-binding domain of the LysR-type trasncription factor NtcB from Anabaena PCC 7120
分子名称: IODIDE ION, NtcB
著者Han, S.J, Jiang, Y.L, Zhou, C.Z.
登録日2022-10-09
公開日2023-10-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024
8H40
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BU of 8h40 by Molmil
Cryo-EM structure of the transcription activation complex NtcA-TAC
分子名称: DNA (125-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Han, S.J, Jiang, Y.L, You, L.L, Shen, L.Q, Wu, X.X, Yang, F, Kong, W.W, Chen, Z.P, Zhang, Y, Zhou, C.Z.
登録日2022-10-09
公開日2023-10-04
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024
8H3V
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BU of 8h3v by Molmil
Cryo-EM structure of the full transcription activation complex NtcA-NtcB-TAC
分子名称: DNA (125-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Han, S.J, Jiang, Y.L, You, L.L, Shen, L.Q, Wu, X.X, Yang, F, Kong, W.W, Chen, Z.P, Zhang, Y, Zhou, C.Z.
登録日2022-10-09
公開日2023-10-04
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024
8HLW
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BU of 8hlw by Molmil
Crystal structure of SIRT3 in complex with H4K16la peptide
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, Histone H4 residues 20-27, NAD-dependent protein deacetylase sirtuin-3, ...
著者Zhuming, F, Hao, Q.
登録日2022-12-01
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of SIRT3 as an eraser of H4K16la.
Iscience, 26, 2023
8HLY
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BU of 8hly by Molmil
Crystal structure of SIRT3 in complex with H3K23la peptide
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Zhuming, F, Hao, Q.
登録日2022-12-01
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of SIRT3 as an eraser of H4K16la.
Iscience, 26, 2023
7C6S
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BU of 7c6s by Molmil
Crystal structure of the SARS-CoV-2 main protease complexed with Boceprevir
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Fu, L, Feng, Y.
登録日2020-05-22
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7C6U
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BU of 7c6u by Molmil
Crystal structure of SARS-CoV-2 complexed with GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Fu, L, Feng, Y, Qi, J, Gao, F.G.
登録日2020-05-22
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
著者Hong, Y, Feng, Y.C, Liu, Y.
登録日2020-07-02
公開日2021-04-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
7CFP
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BU of 7cfp by Molmil
Crystal structure of WDR5 in complex with a H3Q5ser peptide
分子名称: H3Q5ser peptide, SEROTONIN, WD repeat-containing protein 5
著者Zhao, J, Zhang, X, Zang, J.
登録日2020-06-27
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the recognition of histone H3Q5 serotonylation by WDR5.
Sci Adv, 7, 2021
7CFQ
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Crystal structure of WDR5 in complex with H3K4me3Q5ser peptide
分子名称: 1,2-ETHANEDIOL, GLYCEROL, H3K4me3Q5ser peptide, ...
著者Zhao, J, Zhang, X, Zang, J.
登録日2020-06-27
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the recognition of histone H3Q5 serotonylation by WDR5.
Sci Adv, 7, 2021
7D1M
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BU of 7d1m by Molmil
CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fu, L.F, Gilski, M, Shabalin, I, Gao, G.F, Qi, J.X.
登録日2020-09-14
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
7EFR
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BU of 7efr by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (T27W,N330Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Lu, G.W, Ye, F, Lin, X.
登録日2021-03-23
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
7EFP
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BU of 7efp by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Lu, G.W, Ye, F, Lin, X.
登録日2021-03-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
6IQF
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BU of 6iqf by Molmil
crystal structure of Arabidopsis thaliana Profilin 3
分子名称: PRF3
著者Qiao, Z, Gao, Y.
登録日2018-11-07
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.457 Å)
主引用文献Structural and computational examination of theArabidopsisprofilin-Poly-P complex reveals mechanistic details in profilin-regulated actin assembly.
J.Biol.Chem., 294, 2019
6IQJ
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BU of 6iqj by Molmil
crystal structure of Arabidopsis thaliana Profilin 2 complex with formin1
分子名称: Formin-like protein 1, Profilin-2
著者Qiao, Z, Gao, Y.
登録日2018-11-08
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Structural and computational examination of theArabidopsisprofilin-Poly-P complex reveals mechanistic details in profilin-regulated actin assembly.
J.Biol.Chem., 294, 2019
6J67
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BU of 6j67 by Molmil
Crystal structure of the compound 34 in a complex with TRF2
分子名称: 3FB-PHE-B8R-LEU-5XU-PRO, Telomeric repeat-binding factor 2
著者Chen, Y, Yang, Y, Lei, M.
登録日2019-01-14
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction.
ACS Med Chem Lett, 9, 2018
6KKN
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BU of 6kkn by Molmil
Crystal structure of RuBisCO accumulation factor Raf1 from Anabaena sp. PCC 7120
分子名称: All5250 protein
著者Xia, L.Y, Jiang, Y.L, Kong, W.W, Chen, Y, Zhou, C.Z.
登録日2019-07-26
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Molecular basis for the assembly of RuBisCO assisted by the chaperone Raf1.
Nat.Plants, 6, 2020
6KKM
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BU of 6kkm by Molmil
Crystal structure of RbcL-Raf1 complex from Anabaena sp. PCC 7120
分子名称: All5250 protein, Ribulose bisphosphate carboxylase large chain
著者Xia, L.Y, Jiang, Y.L, Kong, W.W, Chen, Y, Zhou, C.Z.
登録日2019-07-26
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular basis for the assembly of RuBisCO assisted by the chaperone Raf1.
Nat.Plants, 6, 2020
6KFW
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BU of 6kfw by Molmil
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
6LRR
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BU of 6lrr by Molmil
Cryo-EM structure of RuBisCO-Raf1 from Anabaena sp. PCC 7120
分子名称: All5250 protein, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain
著者Xia, L.Y, Jiang, Y.L, Kong, W.W, Chen, Y, Zhou, C.Z.
登録日2020-01-16
公開日2020-05-13
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Molecular basis for the assembly of RuBisCO assisted by the chaperone Raf1.
Nat.Plants, 6, 2020
6LRC
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BU of 6lrc by Molmil
Human cGAS catalytic domain bound with the inhibitor PF-06928215
分子名称: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Zhao, W.F, Xu, Y.C.
登録日2020-01-15
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.831 Å)
主引用文献In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
7XRP
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BU of 7xrp by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with nanobody C5G2 (localized refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5G2 nanobody, Spike protein S1
著者Liu, L, Sun, H, Jiang, Y, Liu, X, Zhao, D, Zheng, Q, Li, S, Xia, N.
登録日2022-05-11
公開日2022-10-05
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献A potent synthetic nanobody with broad-spectrum activity neutralizes SARS-CoV-2 virus and the Omicron variant BA.1 through a unique binding mode.
J Nanobiotechnology, 20, 2022
7YHK
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BU of 7yhk by Molmil
Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5
分子名称: 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zheng, Q, Li, S, Li, T, Xue, W, Sun, H.
登録日2022-07-13
公開日2022-08-17
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
6NZR
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BU of 6nzr by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide
分子名称: N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZH
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_40 AKA 6-cyclopropaneamido-4-[(2-methanesulfonylphenyl)amino]-N-methylpyridine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Muckelbauer, J.M.
登録日2019-02-13
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Identification ofN-Methyl Nicotinamide andN-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2).
J.Med.Chem., 62, 2019

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