4DI2
 
 | | Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37 | | Descriptor: | (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, Beta-secretase 1, GLYCEROL | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2012-01-30 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors.
J.Med.Chem., 55, 2012
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7YP2
 | | Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement) | | Descriptor: | 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H | | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | | Deposit date: | 2022-08-02 | | Release date: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
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7YP1
 | | Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement) | | Descriptor: | 10E4 heavy chain, 10E4 light chain, EBV gH, ... | | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | | Deposit date: | 2022-08-02 | | Release date: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
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7YOY
 | | Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement) | | Descriptor: | 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ... | | Authors: | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | | Deposit date: | 2022-08-02 | | Release date: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
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1U5S
 | | NMR structure of the complex between Nck-2 SH3 domain and PINCH-1 LIM4 domain | | Descriptor: | Cytoplasmic protein NCK2, PINCH protein, ZINC ION | | Authors: | Vaynberg, J, Fukuda, T, Vinogradova, O, Velyvis, A, Ng, L, Wu, C, Qin, J. | | Deposit date: | 2004-07-28 | | Release date: | 2005-04-05 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structure of an ultraweak protein-protein complex and its crucial role in regulation of cell morphology and motility.
Mol.Cell, 17, 2005
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4JIH
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat | | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid | | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-03-06 | | Release date: | 2013-10-23 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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4JIR
 | | Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X. | | Deposit date: | 2013-03-06 | | Release date: | 2013-10-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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4JII
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-03-06 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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3RSX
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3RTM
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3RU1
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7F30
 | | Crystal structure of OxdB E85A in complex with Z-2- (3-bromophenyl) propanal oxime | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Phenylacetaldoxime dehydratase, Z-2-(3-bromophenyl) propanal oxime | | Authors: | Muraki, N, Matsui, D, Asano, Y, Aono, S. | | Deposit date: | 2021-06-15 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structural analysis of aldoxime dehydratase from Bacillus sp. OxB-1: Importance of surface residues in optimization for crystallization.
J.Inorg.Biochem., 230, 2022
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7F2Y
 | | Crystal structure of OxdB E85A mutant (form I) | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Phenylacetaldoxime dehydratase | | Authors: | Muraki, N, Matsui, D, Asano, Y, Aono, S. | | Deposit date: | 2021-06-15 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structural analysis of aldoxime dehydratase from Bacillus sp. OxB-1: Importance of surface residues in optimization for crystallization.
J.Inorg.Biochem., 230, 2022
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7F2Z
 | | Crystal structure of OxdB E85A mutant (form II) | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Phenylacetaldoxime dehydratase | | Authors: | Muraki, N, Matsui, D, Asano, Y, Aono, S. | | Deposit date: | 2021-06-15 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structural analysis of aldoxime dehydratase from Bacillus sp. OxB-1: Importance of surface residues in optimization for crystallization.
J.Inorg.Biochem., 230, 2022
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3RVI
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5XHS
 | | Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA | | Descriptor: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ... | | Authors: | Yu, Y, Li, B, Chen, Q. | | Deposit date: | 2017-04-24 | | Release date: | 2018-05-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
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7X3W
 | | Cryo-EM structure of ISW1-N1 nucleosome | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (146-MER), ... | | Authors: | Lifei, L, Kangjing, C, Chen, Z. | | Deposit date: | 2022-03-01 | | Release date: | 2023-09-20 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of the ISW1a complex bound to the dinucleosome.
Nat.Struct.Mol.Biol., 31, 2024
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7X3V
 | | Cryo-EM structure of IOC3-N2 nucleosome | | Descriptor: | DNA (146-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Lifei, L, Kangjing, C, Chen, Z. | | Deposit date: | 2022-03-01 | | Release date: | 2023-09-20 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Structure of the ISW1a complex bound to the dinucleosome.
Nat.Struct.Mol.Biol., 31, 2024
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7X3X
 | | Cryo-EM structure of N1 nucleosome-RA | | Descriptor: | DNA (146-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Lifei, L, Kangjing, C, Chen, Z. | | Deposit date: | 2022-03-01 | | Release date: | 2023-09-20 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of the ISW1a complex bound to the dinucleosome.
Nat.Struct.Mol.Biol., 31, 2024
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7X3T
 | | Cryo-EM structure of ISW1a-dinucleosome | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (343-MER), ... | | Authors: | Lifei, L, Kangjing, C, Chen, Z. | | Deposit date: | 2022-03-01 | | Release date: | 2023-09-20 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Structure of the ISW1a complex bound to the dinucleosome.
Nat.Struct.Mol.Biol., 31, 2024
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2EW7
 | | Crystal Structure of Helicobacter Pylori peptide deformylase | | Descriptor: | COBALT (II) ION, peptide deformylase | | Authors: | Cai, J. | | Deposit date: | 2005-11-02 | | Release date: | 2006-10-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
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2EW6
 | | Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor | | Descriptor: | (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase | | Authors: | Cai, J. | | Deposit date: | 2005-11-02 | | Release date: | 2006-10-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
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2EW5
 | | Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor | | Descriptor: | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE, COBALT (II) ION, peptide deformylase | | Authors: | Cai, J. | | Deposit date: | 2005-11-02 | | Release date: | 2006-10-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
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2A4R
 | | HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound. | | Descriptor: | NS3 protease/helicase, Ns4a peptide, ZINC ION, ... | | Authors: | Bogen, S, Saksena, A.K, Arasappan, A, Gu, H, Njoroge, F.G, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V. | | Deposit date: | 2005-06-29 | | Release date: | 2006-07-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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2GLP
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with compound 1 | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ... | | Authors: | Zhang, L, Liu, W, Shen, X, Jiang, H. | | Deposit date: | 2006-04-05 | | Release date: | 2007-03-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
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