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8K3L
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SOD1 and Nanobody3 complex
分子名称: COPPER (II) ION, NB3, Superoxide dismutase [Cu-Zn], ...
著者Cheng, S, Liu, R, Ding, Y.
登録日2023-07-16
公開日2024-07-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献SOD1 and Nanobody1 complex
To Be Published
5Y1K
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BU of 5y1k by Molmil
Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2-chlorobenzyl)ureido)-N-hydroxy-4-methylpentanamide
分子名称: (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ...
著者Marapaka, A.K, Zhang, Y, Addlagatta, A.
登録日2017-07-20
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization
Chin.Chem.Lett., 33, 2022
5Y1Q
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BU of 5y1q by Molmil
Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(3-chlorobenzyl)ureido)-N-hydroxy-4-methylpentanamide
分子名称: (2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Marapaka, A.K, Zhang, Y, Addlagatta, A.
登録日2017-07-21
公開日2018-08-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization
Chin.Chem.Lett., 33, 2022
8YP3
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BU of 8yp3 by Molmil
Crystal structure of UDP-N-acetylglucosamine pyrophosphorylase from Spodoptera frugiperda in complex with UDP-GlcNAc
分子名称: MAGNESIUM ION, SULFATE ION, UDP-N-acetylglucosamine diphosphorylase, ...
著者Lu, Q, Liu, T, Zhou, Y, Yang, Q.
登録日2024-03-15
公開日2024-08-07
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure and Inhibition of Insect UDP- N -acetylglucosamine Pyrophosphorylase: A Key Enzyme in the Hexosamine Biosynthesis Pathway.
J.Agric.Food Chem., 72, 2024
7T2Z
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BU of 7t2z by Molmil
The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with 1-methyl-5-nitroimidazole
分子名称: 1,2-ETHANEDIOL, 1-methyl-5-nitro-1H-imidazole, ACETIC ACID, ...
著者Wanniarachchi, T.N, Bruner, S.D.
登録日2021-12-06
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2547 Å)
主引用文献Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022
7T33
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The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with nicotinic acid
分子名称: FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, Putative NAD(P)H nitroreductase, ...
著者Wanniarachchi, T.N, Bruner, S.D.
登録日2021-12-06
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022
8WXQ
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Structure of WDR5 in complex with WIN motif containing MBD3C
分子名称: GLY-ALA-ALA-ARG-CYS-ARG-VAL-PHE-SER-PRO, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2023-10-30
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXU
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Structure of WDR5 in complex with WIN motif containing MBD3C C44S/R45E/V46G
分子名称: MBD3C, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2023-10-30
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXR
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Structure of WDR5 in complex with WIN motif containing MBD3C F47A
分子名称: MBD3C, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2023-10-30
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXV
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Structure of WDR5 in complex with WIN motif containing SET1B
分子名称: SET1B, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2023-10-30
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
8WXX
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Structure of WDR5 in complex with WIN motif containing SET1B E1750R/G1751V
分子名称: SET1B, WD repeat-containing protein 5
著者Xu, L, Yang, Y.
登録日2023-10-30
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies of WDR5 in complex with MBD3C WIN motif reveal a unique binding mode.
J.Biol.Chem., 300, 2024
5IG8
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BU of 5ig8 by Molmil
Crystal structure of macrocyclase MdnB from Microcystis aeruginosa MRC
分子名称: ATP grasp ligase
著者Li, K, Condurso, H.L, Bruner, S.D.
登録日2016-02-27
公開日2016-09-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.278 Å)
主引用文献Structural basis for precursor protein-directed ribosomal peptide macrocyclization.
Nat.Chem.Biol., 12, 2016
5IG9
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BU of 5ig9 by Molmil
Crystal structure of macrocyclase MdnC bound with precursor peptide MdnA from Microcystis aeruginosa MRC
分子名称: ATP grasp ligase, Microviridin
著者Li, K, Condurso, H.L, Bruner, S.D.
登録日2016-02-27
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.665 Å)
主引用文献Structural basis for precursor protein-directed ribosomal peptide macrocyclization.
Nat.Chem.Biol., 12, 2016
5HNE
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BU of 5hne by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR
分子名称: 1,2-ETHANEDIOL, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2016-01-18
公開日2016-05-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors.
Acs Med.Chem.Lett., 7, 2016
6A73
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BU of 6a73 by Molmil
Complex structure of CSN2 with IP6
分子名称: COP9 signalosome complex subunit 2,Endolysin, INOSITOL HEXAKISPHOSPHATE, SULFATE ION
著者Liu, L, Li, D, Rao, F, Wang, T.
登録日2018-07-02
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献Basis for metabolite-dependent Cullin-RING ligase deneddylation by the COP9 signalosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KCZ
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BU of 6kcz by Molmil
Solution structure of the ZnF-UBP domain of USP20/VDU2
分子名称: Ubiquitin carboxyl-terminal hydrolase 20, ZINC ION
著者Yang, Y, Wen, Y, Zhang, N.
登録日2019-06-30
公開日2019-07-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and functional studies of USP20 ZnF-UBP domain by NMR.
Protein Sci., 28, 2019
4ZQA
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BU of 4zqa by Molmil
Crystal Structure of the Sds3 Dimerization Domain
分子名称: Sin3 histone deacetylase corepressor complex component SDS3
著者Chan, C.W, Mondragon, A, Clark, M, Radhakrishnan, I.
登録日2015-05-08
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into the assembly of the histone deacetylase-associated Sin3L/Rpd3L corepressor complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
5ZLU
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BU of 5zlu by Molmil
Ribosome Structure bound to ABC-F protein.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Su, W.X, Kumar, V, Ero, R, Andrew, S.W.W, Jian, S, Yong-Gui, G.
登録日2018-03-29
公開日2018-08-01
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Ribosome protection by antibiotic resistance ATP-binding cassette protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4Z2B
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BU of 4z2b by Molmil
The structure of human PDE12 residues 161-609 in complex with GSK3036342A
分子名称: 1,2-ETHANEDIOL, 2',5'-phosphodiesterase 12, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
登録日2015-03-29
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
4Z0V
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The structure of human PDE12 residues 161-609
分子名称: 2',5'-phosphodiesterase 12, GLYCEROL, MAGNESIUM ION
著者Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
登録日2015-03-26
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
7Y4F
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BU of 7y4f by Molmil
bacterial DPP4
分子名称: Dipeptidyl peptidase IV
著者Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
登録日2022-06-14
公開日2023-06-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
7Y4G
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sit-bound btDPP4
分子名称: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, btDPP4
著者Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
登録日2022-06-14
公開日2023-06-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
3T9I
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Pim1 complexed with a novel 3,6-disubstituted indole at 2.6 Ang Resolution
分子名称: 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol, Proto-oncogene serine/threonine-protein kinase pim-1
著者Bellamacina, C, Shu, W, Le, V, Nishiguchi, G, Bussiere, D.
登録日2011-08-02
公開日2011-10-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases.
Bioorg.Med.Chem.Lett., 21, 2011
5CR5
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X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2015-07-22
公開日2015-08-12
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.
Acs Med.Chem.Lett., 6, 2015
4HJE
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BU of 4hje by Molmil
Crystal structure of p53 core domain in complex with DNA
分子名称: Cellular tumor antigen p53, DNA (5'-D(*AP*GP*GP*CP*TP*TP*GP*TP*CP*TP*CP*TP*AP*AP*CP*TP*TP*GP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*CP*AP*AP*GP*TP*TP*AP*GP*AP*GP*AP*CP*AP*AP*GP*CP*CP*T)-3'), ...
著者Chen, Y, Chen, L.
登録日2012-10-12
公開日2013-07-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献Structure of p53 binding to the BAX response element reveals DNA unwinding and compression to accommodate base-pair insertion.
Nucleic Acids Res., 41, 2013

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