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5Z72
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BU of 5z72 by Molmil
Crystal structure of CcpC regulatory domain in complex with citrate from Bacillus amyloliquefaciens
分子名称: CITRATE ANION, CcpC, SODIUM ION
著者Chen, J, Wang, L, Shang, F, Xu, Y.
登録日2018-01-26
公開日2018-02-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanistic insights from the crystal structures of a catabolite control protein C on citrate-responsive mechanism
To Be Published
8I17
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BU of 8i17 by Molmil
Structural basis for H2A-H2B recognitions by human Spt16
分子名称: CHLORIDE ION, FACT complex subunit SPT16, Histone H2A type 1-B/E, ...
著者Huang, H, Li, Y.
登録日2023-01-12
公開日2023-02-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural basis for H2A-H2B recognitions by human Spt16.
Biochem.Biophys.Res.Commun., 651, 2023
8I1V
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BU of 8i1v by Molmil
The asymmetric unit of P22 procapsid
分子名称: Major capsid protein, Scaffolding protein
著者Xiao, H, Liu, H.R, Cheng, L.P.
登録日2023-01-13
公開日2023-03-08
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures.
Viruses, 15, 2023
8I1T
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BU of 8i1t by Molmil
The asymmetric unit of P22 empty capsid
分子名称: Major capsid protein
著者Xiao, H, Liu, H.R, Cheng, L.P.
登録日2023-01-13
公開日2023-03-08
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures.
Viruses, 15, 2023
6QXK
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BU of 6qxk by Molmil
Human PIM1 bound to OX0999
分子名称: 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one, Pimtide, Serine/threonine-protein kinase pim-1
著者Alexander, L.T, Elkins, J.M, Russell, A, Bountra, C, Edwards, A.M, Knapp, S.
登録日2019-03-07
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献PIM1 bound to OX0999
To Be Published
8I5F
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BU of 8i5f by Molmil
Crystal structure of the DHR-2 domain of DOCK10 in complex with Cdc42 (T17N mutant)
分子名称: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10
著者Kukimoto-Niino, M, Mishima-Tsumagari, C, Fukui, Y, Yokoyama, S, Shirouzu, M.
登録日2023-01-25
公開日2023-03-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the dual GTPase specificity of the DOCK10 guanine nucleotide exchange factor.
Biochem.Biophys.Res.Commun., 653, 2023
7ZUN
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BU of 7zun by Molmil
Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone compound
分子名称: (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol, Isoform 2 of Serine/threonine-protein kinase pim-1
著者Casale, E.
登録日2022-05-12
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Stereoselective synthesis of 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as PIM kinase inhibitors inspired from marine alkaloids.
Chirality, 34, 2022
8IK0
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BU of 8ik0 by Molmil
Cryo-EM structure of Stimulator of interferon genes
分子名称: Stimulator of interferon genes protein,Immune protein Tsi3
著者Lu, D.F, Shang, G.J.
登録日2023-02-28
公開日2023-05-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
8IC0
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BU of 8ic0 by Molmil
Cryo-EM structure of CXCL8 bound C-X-C chemokine receptor 1 in complex with Gi heterotrimer
分子名称: C-X-C chemokine receptor type 1, 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Ishimoto, N, Park, J.H, Park, S.Y.
登録日2023-02-10
公開日2023-07-19
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Structural basis of CXC chemokine receptor 1 ligand binding and activation.
Nat Commun, 14, 2023
8I7X
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BU of 8i7x by Molmil
Crystal structure of human ClpP in complex with ZG36
分子名称: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial
著者Wang, P.Y, Gan, J.H, Yang, C.-G.
登録日2023-02-02
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
4QM6
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BU of 4qm6 by Molmil
Structure of bacterial polynucleotide kinase bound to GTP and RNA
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Metallophosphoesterase, ...
著者Das, U, Wang, L.K, Smith, P, Shuman, S.
登録日2014-06-15
公開日2014-10-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of bacterial polynucleotide kinase in a michaelis complex with nucleoside triphosphate (NTP)-Mg2+ and 5'-OH RNA and a mixed substrate-product complex with NTP-Mg2+ and a 5'-phosphorylated oligonucleotide.
J.Bacteriol., 196, 2014
7ZTL
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BU of 7ztl by Molmil
Crystal structure of a covalently linked Aurora-A N-Myc complex
分子名称: 4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者Diebold, M, Schindelin, H.
登録日2022-05-11
公開日2023-01-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a covalently linked Aurora-A-MYCN complex.
Acta Crystallogr D Struct Biol, 79, 2023
8I16
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BU of 8i16 by Molmil
Crystal structure of the selenomethionine (SeMet)-derived Cas12g (D513A) mutant
分子名称: Cas12g, ZINC ION
著者Zhang, B, Chen, J, Ye, Y.M, OuYang, S.Y.
登録日2023-01-12
公開日2023-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural transitions upon guide RNA binding and their importance in Cas12g-mediated RNA cleavage.
Plos Genet., 19, 2023
6AFB
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BU of 6afb by Molmil
DJ-1 C106S incubated with isatin
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, ISATIN, ...
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
8ILR
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BU of 8ilr by Molmil
Cryo-EM structure of PI3Kalpha in complex with compound 16
分子名称: N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W.
登録日2023-03-04
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural insights into the interaction of three Y-shaped ligands with PI3K alpha.
Proc.Natl.Acad.Sci.USA, 120, 2023
6AFL
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BU of 6afl by Molmil
DJ-1 with compound 15
分子名称: 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
8IXL
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BU of 8ixl by Molmil
top segment of the bacteriophage M13 mini variant
分子名称: Capsid protein G8P, Tail virion protein G7P, Tail virion protein G9P
著者Xiang, Y, Jia, Q.
登録日2023-04-01
公開日2023-09-13
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of a bacteriophage M13 mini variant.
Nat Commun, 14, 2023
6E1Y
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BU of 6e1y by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.219 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6AFD
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BU of 6afd by Molmil
DJ-1 with compound 6
分子名称: 7-methyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFC
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BU of 6afc by Molmil
DJ-1 with compound 4
分子名称: 5-fluoranyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
4F52
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BU of 4f52 by Molmil
Structure of a Glomulin-RBX1-CUL1 complex
分子名称: Cullin-1, E3 ubiquitin-protein ligase RBX1, Glomulin, ...
著者Duda, D.M, Olszewski, J.L, Schulman, B.A.
登録日2012-05-11
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of a Glomulin-RBX1-CUL1 Complex: Inhibition of a RING E3 Ligase through Masking of Its E2-Binding Surface.
Mol.Cell, 47, 2012
6AF7
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BU of 6af7 by Molmil
DJ-1 C106S unbound
分子名称: CHLORIDE ION, PENTAETHYLENE GLYCOL, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFI
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BU of 6afi by Molmil
DJ-1 with compound 11
分子名称: 1-ethylindole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
2EBY
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BU of 2eby by Molmil
Crystal structure of a hypothetical protein from E. Coli
分子名称: Putative HTH-type transcriptional regulator ybaQ, SULFATE ION
著者Karthe, P, Kumarevel, T.S, Ebihara, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-09
公開日2007-08-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of a hypothetical protein from E. Coli
To be Published
6L94
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BU of 6l94 by Molmil
The structure of the dioxygenase ABH1 from mouse
分子名称: FE (II) ION, Nucleic acid dioxygenase ALKBH1
著者Xie, W, Wang, C, Li, H, Zhang, Y.
登録日2019-11-08
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.10012341 Å)
主引用文献ALKBH1 promotes lung cancer by regulating m6A RNA demethylation.
Biochem Pharmacol, 189, 2021

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