6MKL
 
 | | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-142 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Protease | | Authors: | Yedidi, R.S, Hayashi, H, Das, D, Mitsuya, H. | | Deposit date: | 2018-09-25 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-function analysis of darunavir-resistant-P51 HIV-1 protease in complex with GRL-142.
To Be Published
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6N2G
 | | Crystal structure of Caenorhabditis elegans NAP1 | | Descriptor: | Nucleosome Assembly Protein | | Authors: | Bhattacharyya, S, DArcy, S. | | Deposit date: | 2018-11-13 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Characterization of Caenorhabditis elegans Nucleosome Assembly Protein 1 Uncovers the Role of Acidic Tails in Histone Binding.
Biochemistry, 58, 2019
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6MKN
 | | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with an inosine (I34) modified anticodon stem loop (ASL) of Escherichia coli transfer RNA Arginine 2 (TRNAARG2) bound to an mRNA with an CGU-codon in the A-site and paromomycin | | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Cantara, W.A, DeMirci, H, Agris, P.F. | | Deposit date: | 2018-09-25 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | A Structural Basis for Restricted Codon Recognition Mediated by 2-thiocytidine in tRNA Containing a Wobble Position Inosine.
J.Mol.Biol., 432, 2020
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6MYY
 | | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 3 Fabs bound, sharpened map | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ... | | Authors: | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | | Deposit date: | 2018-11-02 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core.
Elife, 7, 2018
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6MTP
 | | Crystal structure of VRC42.04 Fab in complex with gp41 peptide | | Descriptor: | Antibody VRC42.04 Fab heavy chain, Antibody VRC42.04 Fab light chain, RV217 founder virus gp41 peptide | | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D. | | Deposit date: | 2018-10-21 | | Release date: | 2019-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.036 Å) | | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
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5NT5
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6P0O
 | | Crystal structure of GDP-bound human RalA | | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5O46
 | | Crystal structure of Iristatin, a secreted salivary cystatin from the hard tick Ixodes ricinus | | Descriptor: | GLYCEROL, Iristatin | | Authors: | Busa, M, Rezacova, P, Kotal, J, Kotsyfakis, M, Mares, M. | | Deposit date: | 2017-05-26 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The structure and function of Iristatin, a novel immunosuppressive tick salivary cystatin.
Cell.Mol.Life Sci., 76, 2019
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5O4E
 | | Crystal structure of VEGF in complex with heterodimeric Fcab JanusCT6 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Mlynek, G, Lobner, E, Kubinger, K, Humm, A, Obinger, C, Djinovic-Carugo, K. | | Deposit date: | 2017-05-29 | | Release date: | 2017-08-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Two-faced Fcab prevents polymerization with VEGF and reveals thermodynamics and the 2.15 angstrom crystal structure of the complex.
MAbs, 9, 2017
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6PEP
 | | Focussed refinement of InvGN0N1:SpaPQR:PrgIJ from the Salmonella SPI-1 injectisome needle complex | | Descriptor: | Protein InvG, Protein PrgH, Protein PrgI, ... | | Authors: | Hu, J, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2019-06-20 | | Release date: | 2019-10-23 | | Last modified: | 2020-01-08 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | T3S injectisome needle complex structures in four distinct states reveal the basis of membrane coupling and assembly.
Nat Microbiol, 4, 2019
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5O4W
 | | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal | | Descriptor: | Lysozyme C | | Authors: | Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P. | | Deposit date: | 2017-05-31 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-17 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.11 Å) | | Cite: | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal.
Acta Crystallogr D Struct Biol, 73, 2017
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6PIB
 | | Structure of the Klebsiella pneumoniae LpxH-AZ1 complex | | Descriptor: | 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Cho, J, Zhou, P. | | Deposit date: | 2019-06-26 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5NVW
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(cyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 6) | | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-(cyclopropylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Gadd, M.S, Soares, P, Galdeano, C, Ciulli, A. | | Deposit date: | 2017-05-04 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
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6PLG
 | | Crystal structure of human PHGDH complexed with Compound 15 | | Descriptor: | (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE | | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2019-06-30 | | Release date: | 2019-07-24 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
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5NXG
 | | Carbonic Anhydrase II Inhibitor RA1 | | Descriptor: | 2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | | Deposit date: | 2017-05-10 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
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5NXP
 | | Carbonic Anhydrase II Inhibitor RA7 | | Descriptor: | 2-[methyl(phenyl)amino]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | | Deposit date: | 2017-05-10 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
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6P6U
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6P6E
 | | Structure of Mouse Importin alpha - PAC3 NLS peptide complex | | Descriptor: | Importin subunit alpha-1, PAC3 NLS | | Authors: | Bernardes, N.E, Silva, T.D, Fukuda, C.A, Oliveira, H.C, Fontes, M.R.M. | | Deposit date: | 2019-06-03 | | Release date: | 2020-01-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Comparative study of the interactions between fungal transcription factor nuclear localization sequences with mammalian and fungal importin-alpha.
Sci Rep, 10, 2020
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6P86
 | | E.coli LpxD in complex with compound 4.1 | | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, N-[(4-ethylphenyl)methyl]-2-[(6aR)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide, ... | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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5NXW
 | | Carbonic Anhydrase II Inhibitor RA9 | | Descriptor: | 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | | Deposit date: | 2017-05-11 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
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6P6K
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7WKD
 | | TRH-TRHR G protein complex | | Descriptor: | Gq, 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, ... | | Authors: | Xu, Y, Cai, H, You, C, He, X, Yuan, Q, Jiang, H, Cheng, X, Jiang, Y, Xu, H.E. | | Deposit date: | 2022-01-09 | | Release date: | 2022-06-15 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural insights into ligand binding and activation of the human thyrotropin-releasing hormone receptor.
Cell Res., 32, 2022
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6P57
 | | Crystal Structure of the Beta Subunit of Luteinizing Hormone | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Lutropin subunit beta, alpha-D-mannopyranose, ... | | Authors: | McPherson, A. | | Deposit date: | 2019-05-29 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | The Crystal Structure of the Beta Subunit of Luteinizing Hormone and a Model for the Intact Hormone
Curr Res Struct Biol, 2019
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5NZN
 | | Complex of H275Y/S247N mutant variant of neuraminidase from H1N1 influenza virus with oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pachl, P, Pokorna, J. | | Deposit date: | 2017-05-14 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Kinetic, Thermodynamic, and Structural Analysis of Drug Resistance Mutations in Neuraminidase from the 2009 Pandemic Influenza Virus.
Viruses, 10, 2018
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6P0N
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | Descriptor: | 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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