6MC2
 
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8QH3
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8QUH
 | | Hexameric HIV-1 CA in complex with DDD00057456 | | Descriptor: | 4-methylquinolin-2-ol, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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8QUL
 | | Hexameric HIV-1 CA in complex with DDD00100555 | | Descriptor: | 3-(BENZYLOXY)PYRIDIN-2-AMINE, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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8QV1
 | | Hexameric HIV-1 CA in complex with DDD01728505 | | Descriptor: | Spacer peptide 1, methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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5IMM
 | | Nanobody targeting mouse Vsig4 in Spacegroup P212121 | | Descriptor: | Nanobody, Protein Vsig4 | | Authors: | Wen, Y, Zheng, F. | | Deposit date: | 2016-03-06 | | Release date: | 2017-01-11 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural evaluation of a nanobody targeting complement receptor Vsig4 and its cross reactivity
Immunobiology, 222, 2017
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5LI7
 | | Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea | | Descriptor: | 1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | | Authors: | Levy, C, Munro, A.W, Leys, D. | | Deposit date: | 2016-07-14 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
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8QV9
 | | Hexameric HIV-1 CA in complex with DDD01829021 | | Descriptor: | 1,2-ETHANEDIOL, 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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1F45
 | | HUMAN INTERLEUKIN-12 | | Descriptor: | INTERLEUKIN-12 ALPHA CHAIN, INTERLEUKIN-12 BETA CHAIN, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yoon, C, Johnston, S.C, Tang, J, Tobin, J.F, Somers, W.S. | | Deposit date: | 2000-06-07 | | Release date: | 2001-06-20 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Charged residues dominate a unique interlocking topography in the heterodimeric cytokine interleukin-12.
EMBO J., 19, 2000
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8QUW
 | | Hexameric HIV-1 CA in complex with DDD01044153 | | Descriptor: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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6SCN
 | | 33mer structure of the Salmonella flagella MS-ring protein FliF | | Descriptor: | Flagellar M-ring protein | | Authors: | Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M. | | Deposit date: | 2019-07-24 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Symmetry mismatch in the MS-ring of the bacterial flagellar rotor explains the structural coordination of secretion and rotation.
Nat Microbiol, 5, 2020
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6AVF
 | | Crystal structure of the KFJ5 TCR-NY-ESO-1-HLA-B*07:02 complex | | Descriptor: | ALA-PRO-ARG-GLY-PRO-HIS-GLY-GLY-ALA-ALA-SER-GLY-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Gully, B.S, Gras, S, Rossjohn, J. | | Deposit date: | 2017-09-02 | | Release date: | 2018-02-28 | | Last modified: | 2019-04-17 | | Method: | X-RAY DIFFRACTION (2.028 Å) | | Cite: | Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide.
Nat Commun, 9, 2018
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8Q1M
 | | Aplysia californica acetylcholine-binding protein in complex with Spiroimine (+)-4 R | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Soluble acetylcholine receptor, ... | | Authors: | Sulzenbacher, G, Bourne, Y, Marchot, P. | | Deposit date: | 2023-07-31 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism.
Mar Drugs, 22, 2024
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8QUC
 | | Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT1 | | Descriptor: | (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G, Large, C, Lakshminaraya, B, Williams, E, Sauer, D.B. | | Deposit date: | 2023-10-16 | | Release date: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Nat Commun, 15, 2024
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6AWL
 | | Crystal structure of human Coq9 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, ... | | Authors: | Bingman, C.A, Lohman, D.C, Smith, R.W, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2017-09-05 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An Isoprene Lipid-Binding Protein Promotes Eukaryotic Coenzyme Q Biosynthesis.
Mol. Cell, 73, 2019
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8QTL
 | | Aplysia californica acetylcholine-binding protein in complex with Spiroimine (-)-4 S | | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor, ... | | Authors: | Sulzenbacher, G, Bourne, Y, Marchot, P. | | Deposit date: | 2023-10-12 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism.
Mar Drugs, 22, 2024
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6ZYT
 | | Monomeric streptavidin with a conjugated biotinylated pyrrolidine | | Descriptor: | 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, SULFATE ION, Streptavidin/Rhizavidin Hybrid | | Authors: | Nodling, A.R, Lipka-Lloyd, M, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y. | | Deposit date: | 2020-08-03 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
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6B14
 | | Crystal structure of Spinach RNA aptamer in complex with Fab BL3-6S97N | | Descriptor: | Heavy chain of Fab BL3-6S97N, Light chain of Fab BL3-6S97N, MAGNESIUM ION, ... | | Authors: | DasGupta, S, Shelke, S.A, Piccirilli, J.A. | | Deposit date: | 2017-09-16 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Affinity maturation of a portable Fab-RNA module for chaperone-assisted RNA crystallography.
Nucleic Acids Res., 46, 2018
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6B1G
 | | Solution structure of TDP-43 N-terminal domain dimer. | | Descriptor: | TAR DNA-binding protein 43, S48E Mutant, Y4R Mutant | | Authors: | Naik, M.T, Wang, A, Conicella, A, Fawzi, N.L. | | Deposit date: | 2017-09-18 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | A single N-terminal phosphomimic disrupts TDP-43 polymerization, phase separation, and RNA splicing.
EMBO J., 37, 2018
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6M92
 | | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex | | Descriptor: | 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | | Authors: | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J. | | Deposit date: | 2018-08-22 | | Release date: | 2019-04-03 | | Last modified: | 2020-01-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
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6ZYU
 | | Structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM549 | | Descriptor: | (4~{R})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide, (4~{S})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide, ACETATE ION, ... | | Authors: | Dorosz, J, Christensen, K.M, Kastrup, J.S. | | Deposit date: | 2020-08-03 | | Release date: | 2021-08-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development of Thiochroman Dioxide Analogues of Benzothiadiazine Dioxides as New Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors.
Acs Chem Neurosci, 12, 2021
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1EZG
 | | CRYSTAL STRUCTURE OF ANTIFREEZE PROTEIN FROM THE BEETLE, TENEBRIO MOLITOR | | Descriptor: | THERMAL HYSTERESIS PROTEIN ISOFORM YL-1 | | Authors: | Liou, Y.-C, Tocilj, A, Davies, P.L, Jia, Z. | | Deposit date: | 2000-05-10 | | Release date: | 2000-08-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Mimicry of ice structure by surface hydroxyls and water of a beta-helix antifreeze protein.
Nature, 406, 2000
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5IH2
 | | Structure, thermodynamics, and the role of conformational dynamics in the interactions between the N-terminal SH3 domain of CrkII and proline-rich motifs in cAbl | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Adapter molecule crk, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bhatt, V.S, Zeng, D, Krieger, I, Sacchettini, J.C, Cho, J.-H. | | Deposit date: | 2016-02-28 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding Mechanism of the N-Terminal SH3 Domain of CrkII and Proline-Rich Motifs in cAbl.
Biophys.J., 110, 2016
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6M09
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7K0T
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