8HR2
| Ternary Crystal Complex Structure of RBD with NB1B5 and NB1C6 | Descriptor: | NB1B5, NB1C6, Spike protein S1 | Authors: | Sun, Z. | Deposit date: | 2022-12-14 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure basis of two nanobodies neutralizing SARS-CoV-2 Omicron variant by targeting ultra-conservative epitopes. J.Struct.Biol., 215, 2023
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8ZH4
| HIV-1 integrase core domain in complex with compound 5 | Descriptor: | (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ... | Authors: | Furuzono, T, Orita, T, Nomura, A, Adachi, T. | Deposit date: | 2024-05-10 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety. Bioorg.Med.Chem.Lett., 2024
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8ZHA
| HIV-1 integrase core domain in complex with compound 15 | Descriptor: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION, ... | Authors: | Furuzono, T, Orita, T, Nomura, A, Adachi, T. | Deposit date: | 2024-05-10 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design and synthesis of novel and potent allosteric HIV-1 integrase inhibitors with a spirocyclic moiety. Bioorg.Med.Chem.Lett., 2024
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4LKQ
| Crystal structure of PDE10A2 with fragment ZT017 | Descriptor: | 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | Authors: | Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V. | Deposit date: | 2013-07-08 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography. J Biomol Screen, 19, 2014
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1X1W
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1BNS
| STRUCTURAL STUDIES OF BARNASE MUTANTS | Descriptor: | BARNASE | Authors: | Chen, Y.W. | Deposit date: | 1994-04-11 | Release date: | 1994-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Contribution of buried hydrogen bonds to protein stability. The crystal structures of two barnase mutants. J.Mol.Biol., 234, 1993
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6S50
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6LSR
| Cryo-EM structure of a pre-60S ribosomal subunit - state B | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Liang, X, Zuo, M, Zhang, Y, Li, N, Ma, C, Dong, M, Gao, N. | Deposit date: | 2020-01-20 | Release date: | 2020-08-26 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Structural snapshots of human pre-60S ribosomal particles before and after nuclear export. Nat Commun, 11, 2020
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7PD9
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4X2R
| Crystal structure of PriA from Actinomyces urogenitalis | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, PHOSPHATE ION | Authors: | MICHALSKA, K, VERDUZCO-CASTRO, E.A, ENDRES, M, BARONA-GOMEZ, F, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-11-26 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Evolution of substrate specificity in a retained enzyme driven by gene loss. Elife, 6, 2017
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1BRS
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1BSE
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6YJY
| Crystal structure of human glutaminyl cyclase in complex with neurotensin 1-5 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTAMINE, Glutaminyl-peptide cyclotransferase, ... | Authors: | Funk, L.M, Sautner, V, Tittmann, K. | Deposit date: | 2020-04-05 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Hydrazides Are Potent Transition-State Analogues for Glutaminyl Cyclase Implicated in the Pathogenesis of Alzheimer's Disease. Biochemistry, 59, 2020
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1KBI
| Crystallographic Study of the Recombinant Flavin-binding Domain of Baker's Yeast Flavocytochrome b2: Comparison with the Intact Wild-type Enzyme | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTOCHROME B2, FLAVIN MONONUCLEOTIDE, ... | Authors: | Cunane, L.M, Barton, J.D, Chen, Z.-W, Welsh, F.E, Chapman, S.K, Reid, G.A, Mathews, F.S. | Deposit date: | 2001-11-06 | Release date: | 2002-04-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic study of the recombinant flavin-binding domain of Baker's yeast flavocytochrome b(2): comparison with the intact wild-type enzyme. Biochemistry, 41, 2002
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8P6Q
| Racemic structure of TNFR1 cysteine-rich domain | Descriptor: | D-TNFR-1 CRD2, SULFATE ION, Tumor necrosis factor-binding protein 1 | Authors: | Lander, A.J, Jin, Y, Luk, L.Y.P. | Deposit date: | 2023-05-28 | Release date: | 2024-01-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Deciphering the Synthetic and Refolding Strategy of a Cysteine-Rich Domain in the Tumor Necrosis Factor Receptor (TNF-R) for Racemic Crystallography Analysis and d-Peptide Ligand Discovery. Acs Bio Med Chem Au, 4, 2024
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1BRI
| BARNASE MUTANT WITH ILE 76 REPLACED BY ALA | Descriptor: | BARNASE | Authors: | Cramer, P.C, Buckle, A, Fersht, A. | Deposit date: | 1995-03-09 | Release date: | 1995-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and energetic responses to cavity-creating mutations in hydrophobic cores: observation of a buried water molecule and the hydrophilic nature of such hydrophobic cavities. Biochemistry, 35, 1996
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6OSO
| The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.75 Angstrom resolution | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L, Chang, C, Fan, L. | Deposit date: | 2019-05-01 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Backbone assignments and conformational dynamics in the S. typhimurium tryptophan synthase alpha-subunit from solution-state NMR. J.Biomol.Nmr, 74, 2020
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6AHS
| Mouse Kallikrein 7 in complex with imidazolinylindole derivative | Descriptor: | 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Sugawara, H. | Deposit date: | 2018-08-20 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors. Bioorg. Med. Chem. Lett., 29, 2019
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6OUY
| The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.60 Angstrom resolution | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L, Chang, C, Fan, L. | Deposit date: | 2019-05-06 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Backbone assignments and conformational dynamics in the S. typhimurium tryptophan synthase alpha-subunit from solution-state NMR. J.Biomol.Nmr, 74, 2020
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6OWV
| Crystal structure of a Human Cardiac Calsequestrin Filament | Descriptor: | CHLORIDE ION, Calsequestrin-2, SULFATE ION | Authors: | Titus, E.W, Deiter, F.H, Shi, C, Jura, N, Deo, R.C. | Deposit date: | 2019-05-12 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The structure of a calsequestrin filament reveals mechanisms of familial arrhythmia. Nat.Struct.Mol.Biol., 27, 2020
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6ERE
| Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes3/Imdes3 | Descriptor: | Immunity, PHOSPHATE ION, colicin | Authors: | Netzer, R, Listov, D, Dym, O, Albeck, S, Knop, O, Fleishman, S.J. | Deposit date: | 2017-10-18 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Ultrahigh specificity in a network of computationally designed protein-interaction pairs. Nat Commun, 9, 2018
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1BNR
| BARNASE | Descriptor: | BARNASE (G SPECIFIC ENDONUCLEASE) | Authors: | Bycroft, M. | Deposit date: | 1995-03-31 | Release date: | 1995-07-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Determination of the three-dimensional solution structure of barnase using nuclear magnetic resonance spectroscopy. Biochemistry, 30, 1991
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1BNF
| BARNASE T70C/S92C DISULFIDE MUTANT | Descriptor: | BARNASE | Authors: | Clarke, J, Henrick, K, Fersht, A.R. | Deposit date: | 1995-03-31 | Release date: | 1995-07-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Disulfide mutants of barnase. I: Changes in stability and structure assessed by biophysical methods and X-ray crystallography. J.Mol.Biol., 253, 1995
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6ALW
| The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with 12-Methyl Myristic Acid (C15:0) to 1.63 Angstrom resolution | Descriptor: | (12R)-12-methyltetradecanoic acid, (12S)-12-methyltetradecanoic acid, EDD domain protein, ... | Authors: | Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O. | Deposit date: | 2017-08-08 | Release date: | 2018-11-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins. J. Biol. Chem., 294, 2019
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6OWH
| Crystal structure of MYST acetyltransferase domain in complex with inhibitor 92 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase KAT8, ... | Authors: | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | Deposit date: | 2019-05-09 | Release date: | 2020-04-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents. J.Med.Chem., 63, 2020
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