6XOQ
 
 | | DCN1 covalently bound to inhibitor 4 | | Descriptor: | (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide, Lysozyme, DCN1-like protein 1 chimera | | Authors: | Stuckey, J.A. | | Deposit date: | 2020-07-07 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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8CUH
 | | Crystal structure of human TEAD2 complexed with its inhibitor TM2. | | Descriptor: | 4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide, Transcriptional enhancer factor TEF-4 | | Authors: | Liu, S, Luo, X. | | Deposit date: | 2022-05-17 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a new class of reversible TEA-domain transcription factor inhibitors with a novel binding mode.
Elife, 11, 2022
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8CMY
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8ERX
 | | Structure of chimeric HLA-A*11:01-A*02:01 bound to HIV-1 RT peptide | | Descriptor: | Beta-2-microglobulin, HIV-1 RT, HLA-A*02:01 | | Authors: | Florio, T.J, Ani, O, Young, M.C, Mallik, L, Sgourakis, N.G. | | Deposit date: | 2022-10-13 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Decoupling peptide binding from T cell receptor recognition with engineered chimeric MHC-I molecules.
Front Immunol, 14, 2023
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6XIF
 | | PCSK9(deltaCRD) in complex with cyclic peptide 83 | | Descriptor: | GLYCEROL, Peptide 83, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.774 Å) | | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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6XIE
 | | PCSK9(deltaCRD) in complex with cyclic peptide 77 | | Descriptor: | GLYCEROL, Peptide 77, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2020-06-19 | | Release date: | 2020-11-18 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design.
J.Med.Chem., 63, 2020
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3F7O
 | | Crystal structure of Cuticle-Degrading Protease from Paecilomyces lilacinus (PL646) | | Descriptor: | (MSU)(ALA)(ALA)(PRO)(VAL), CALCIUM ION, Serine protease | | Authors: | Liang, L, Lou, Z, Meng, Z, Rao, Z, Zhang, K. | | Deposit date: | 2008-11-10 | | Release date: | 2009-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structures of two cuticle-degrading proteases from nematophagous fungi and their contribution to infection against nematodes.
Faseb J., 24, 2010
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3F7M
 | | Crystal structure of apo Cuticle-Degrading Protease (ver112) from Verticillium psalliotae | | Descriptor: | Alkaline serine protease ver112 | | Authors: | Liang, L, Lou, Z, Ye, F, Meng, Z, Rao, Z, Zhang, K. | | Deposit date: | 2008-11-09 | | Release date: | 2009-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structures of two cuticle-degrading proteases from nematophagous fungi and their contribution to infection against nematodes.
Faseb J., 24, 2010
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7DLY
 | | Crystal structure of Arabidopsis ACS7 mutant in complex with PPG | | Descriptor: | (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7 | | Authors: | Hao, B, Zhang, Y, Li, X, Rao, Z. | | Deposit date: | 2020-11-30 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
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7DLW
 | | Crystal structure of Arabidopsis ACS7 in complex with PPG | | Descriptor: | (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7, SULFATE ION | | Authors: | Hao, B, Zhang, Y, Li, X, Rao, Z. | | Deposit date: | 2020-11-30 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
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8JEX
 | | Cryo-EM structure of alpha-synuclein gS87 fibril | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-synuclein, unverified amino acid chain | | Authors: | Xia, W.C, Sun, Y.P, Liu, C. | | Deposit date: | 2023-05-16 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Phosphorylation and O-GlcNAcylation at the same alpha-synuclein site generate distinct fibril structures
Nat Commun, 15, 2024
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5HBA
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8JEY
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7QQB
 | | Crystal structure of the envelope glycoprotein complex of Puumala virus in complex with the scFv fragment of the broadly neutralizing human antibody ADI-42898 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, GLYCEROL, ... | | Authors: | Serris, A, Rey, F.A, Guardado-Calvo, P. | | Deposit date: | 2022-01-07 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and mechanistic basis of neutralization by a pan-hantavirus protective antibody.
Sci Transl Med, 15, 2023
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7RNO
 | | Model of the Ac-6-FP/hpMR1/bB2m/TAPBPR complex from integrated docking, NMR and restrained MD | | Descriptor: | Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide, ... | | Authors: | McShan, A.C, Sgourakis, N.G. | | Deposit date: | 2021-07-29 | | Release date: | 2022-05-11 | | Last modified: | 2022-08-10 | | Method: | SOLUTION NMR | | Cite: | TAPBPR employs a ligand-independent docking mechanism to chaperone MR1 molecules.
Nat.Chem.Biol., 18, 2022
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7VLN
 | | NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound | | Descriptor: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2 | | Authors: | Cao, D.Y, Li, Y.L, Li, J, Xiong, B. | | Deposit date: | 2021-10-05 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors.
J.Med.Chem., 65, 2022
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7CWO
 | | SARS-CoV-2 spike protein RBD and P17 fab complex | | Descriptor: | Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab | | Authors: | Wang, X, Wang, N. | | Deposit date: | 2020-08-29 | | Release date: | 2020-12-16 | | Last modified: | 2021-01-13 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
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7CWL
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7CWM
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7CWN
 | | P17-H014 Fab cocktail in complex with SARS-CoV-2 spike protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Wang, N, Wang, X. | | Deposit date: | 2020-08-29 | | Release date: | 2020-12-16 | | Last modified: | 2021-01-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
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1MS7
 | | X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-Des-Me-AMPA at 1.97 A resolution, Crystallization in the presence of zinc acetate | | Descriptor: | (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID, Glutamate receptor subunit 2, ZINC ION | | Authors: | Kasper, C, Lunn, M.-L, Liljefors, T, Gouaux, E, Egebjerg, J, Kastrup, J.S. | | Deposit date: | 2002-09-19 | | Release date: | 2003-07-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | GluR2 ligand-binding core complexes: importance of the isoxazolol moiety and 5-substituent for the binding mode of AMPA-type agonists
FEBS Lett., 531, 2002
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3G6L
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3G6M
 | | crystal structure of a chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with a potent inhibitor caffeine | | Descriptor: | CAFFEINE, Chitinase | | Authors: | Gan, Z, Yang, J, Lou, Z, Rao, Z, Zhang, K.-Q. | | Deposit date: | 2009-02-06 | | Release date: | 2010-02-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure and mutagenesis analysis of chitinase CrChi1 from the nematophagous fungus Clonostachys rosea in complex with the inhibitor caffeine
Microbiology, 156, 2010
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2N79
 | | The structural and functional effects of the Familial Hypertrophic Cardiomyopathy-linked cardiac troponin C mutation, L29Q | | Descriptor: | CALCIUM ION, Troponin C, slow skeletal and cardiac muscles | | Authors: | Robertson, I.M, Sevrieva, I, Li, M.X, Irving, M, Sun, Y, Sykes, B. | | Deposit date: | 2015-09-06 | | Release date: | 2015-10-28 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The structural and functional effects of the familial hypertrophic cardiomyopathy-linked cardiac troponin C mutation, L29Q.
J.MOL.CELL.CARDIOL., 87, 2015
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3NX2
 | | Enterobacter sp. Px6-4 Ferulic Acid Decarboxylase in complex with substrate analogues | | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Ferulic acid decarboxylase | | Authors: | Gu, W, Yang, J.K, Lou, Z.Y, Meng, Z.H, Zhang, K.-Q. | | Deposit date: | 2010-07-12 | | Release date: | 2011-02-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural Basis of Enzymatic Activity for the Ferulic Acid Decarboxylase (FADase) from Enterobacter sp. Px6-4
Plos One, 6, 2011
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