PDB: 221716 resultsInfo pagesStatus searchChemie searchBIRD

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8T8C	Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site aminoacyl-tRNA analog ACC-PMN, and P-site formyl-MFI-tripeptidyl-tRNA analog ACCA-IFMf at 2.60A resolution Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... Authors: Thaler, J, Syroegin, E.A, Breuker, K, Polikanov, Y.S, Micura, R. Deposit date: 2023-06-22 Release date: 2023-07-19 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Practical Synthesis of N -Formylmethionylated Peptidyl-tRNA Mimics. Acs Chem.Biol., 18, 2023
8T8B	Crystal structure of the Thermus thermophilus 70S ribosome in complex with protein Y, A-site aminoacyl-tRNA analog ACC-PMN, and P-site formyl-MAI-tripeptidyl-tRNA analog ACCA-IAMf at 2.65A resolution Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ... Authors: Thaler, J, Syroegin, E.A, Breuker, K, Polikanov, Y.S, Micura, R. Deposit date: 2023-06-22 Release date: 2023-07-19 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Practical Synthesis of N -Formylmethionylated Peptidyl-tRNA Mimics. Acs Chem.Biol., 18, 2023
8T8A	Structure of arginine oxidase from Pseudomonas sp. TRU 7192 Descriptor: Amine oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE Authors: Takahashi, K, Yamaguchi, H, Tatsumi, M, Sugiki, M. Deposit date: 2023-06-22 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Structural basis of arginine oxidase from Pseudomonas sp. TRU 7192 To Be Published
8T89	Racemic mixture of amyloid beta segment 16-KLVFFA-21 forms heterochiral rippled beta-sheet Descriptor: Racemic mixture of amyloid beta segment 16-KLVFFA-21, trifluoroacetic acid Authors: Sawaya, M.R, Raskatov, J.A, Hazari, A. Deposit date: 2023-06-22 Release date: 2023-11-29 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets. J.Am.Chem.Soc., 145, 2023
8T88	FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone JJ004 bound Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate Authors: Fellner, M. Deposit date: 2023-06-22 Release date: 2024-03-06 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections. J.Am.Chem.Soc., 146, 2024
8T87	FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, unbound dimer crystal form 1 Descriptor: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION Authors: Fellner, M. Deposit date: 2023-06-22 Release date: 2024-03-06 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections. J.Am.Chem.Soc., 146, 2024
8T86	Racemic mixture of amylin segment 25-AILSS-29 forms heterochiral rippled beta-sheet Descriptor: Racemic mixture of amylin segment 25-AILSS-29 Authors: Sawaya, M.R, Raskatov, J.A, Hazari, A, Sajimon, M. Deposit date: 2023-06-21 Release date: 2023-11-29 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.102 Å) Cite: Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets. J.Am.Chem.Soc., 145, 2023
8T85	Structure of RssB bound to beryllofluoride Descriptor: BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... Authors: Brugger, C, Schwartz, J, Deaconescu, A.M. Deposit date: 2023-06-21 Release date: 2024-01-17 Method: X-RAY DIFFRACTION (2.38 Å) Cite: Structure of phosphorylated-like RssB, the adaptor delivering sigma s to the ClpXP proteolytic machinery, reveals an interface switch for activation. J.Biol.Chem., 299, 2023
8T84	Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes hexafluoroisopropanol Descriptor: 1,1,1,3,3,3-hexafluoropropan-2-ol, Racemic mixture of amyloid beta segment 35-MVGGVV-40 Authors: Sawaya, M.R, Raskatov, J.A, Hazari, A. Deposit date: 2023-06-21 Release date: 2023-11-29 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.101 Å) Cite: Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets. J.Am.Chem.Soc., 145, 2023
8T83	X-ray crystal structure of PfA-M1(M462K) Descriptor: Aminopeptidase N, GLYCEROL, ZINC ION Authors: Yang, W, Drinkwater, N, Webb, C.T, McGowan, S. Deposit date: 2023-06-21 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (2 Å) Cite: Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase. To Be Published
8T82	Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes pentafluoropropionic acid Descriptor: amyloid beta segment 35-MVGGVV-40, racemic mixture, pentafluoropropanoic acid Authors: Sawaya, M.R, Raskatov, J.A, Hazari, A. Deposit date: 2023-06-21 Release date: 2023-11-29 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets. J.Am.Chem.Soc., 145, 2023
8T81	Influenza PAN endonuclease E23K mutant with 6-(4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid Descriptor: (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein Authors: Kohlbrand, A.J, Cohen, S.M. Deposit date: 2023-06-21 Release date: 2024-05-08 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants. Biochemistry, 63, 2024
8T80	Sequence specific (AATT) orientation of Hoechst molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) Descriptor: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*GP*T)-3'), ... Authors: Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. Deposit date: 2023-06-21 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (2.91 Å) Cite: Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
8T7Z	Crystal structure of alpha-glucosidase (yicI) from Klebsiella aerogenes Descriptor: Alpha-glucosidase yicI Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2023-06-21 Release date: 2023-07-05 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of alpha-glucosidase (yicI) from Klebsiella aerogenes To be published
8T7Y	Structure of SARS CoV-2 main protease in complex with Chymostatin. Descriptor: 3C-like proteinase nsp5, Chymostatin A (bound form) Authors: Terzyan, S, Yarla, N, Rao, C.V, Mooers, B. Deposit date: 2023-06-21 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Structure of SARS CoV-2 main protease in complex with Chymostatin. to be published
8T7X	Sequence specific (AATT) orientation of DAPI molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) Descriptor: 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, CACODYLATE ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), ... Authors: Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. Deposit date: 2023-06-21 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (3.07 Å) Cite: Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
8T7W	Crystal structure of Oxygen-dependent coproporphyrinogen-III oxidase (hemF) from Klebsiella aerogenes Descriptor: 1,2-ETHANEDIOL, Oxygen-dependent coproporphyrinogen-III oxidase Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2023-06-21 Release date: 2023-06-28 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystal structure of Oxygen-dependent coproporphyrinogen-III oxidase (hemF) from Klebsiella aerogenes To be published
8T7V	Co-crystal structure of KRIT1 with a 1-hydroxy 2-naphthaldehyde derivative (6-(furan-2-yl)-2-hydroxy-1-naphthaldehyde) Descriptor: (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ... Authors: Bruystens, J.G.H. Deposit date: 2023-06-21 Release date: 2023-12-06 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Targeted Reversible Covalent Modification of a Noncatalytic Lysine of the Krev Interaction Trapped 1 Protein Enables Site-Directed Screening for Protein-Protein Interaction Inhibitors. Acs Pharmacol Transl Sci, 6, 2023
8T7U	ADP-bound Bcs1 (unsymmetrized) Descriptor: ADENOSINE-5'-DIPHOSPHATE, Mitochondrial chaperone BCS1 Authors: Zhan, J, Xia, D. Deposit date: 2023-06-21 Release date: 2024-06-05 Last modified: 2024-06-12 Method: ELECTRON MICROSCOPY (3.74 Å) Cite: Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate. Nat Commun, 15, 2024
8T7T	CryoEM structure of the HisRS-like domain of human GCN2 Descriptor: eIF-2-alpha kinase GCN2 Authors: Yin, J.Z, Keszei, A.F.A, Mazhab-Jafari, M.T, Sicheri, F. Deposit date: 2023-06-21 Release date: 2024-03-13 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: CryoEM structure of the HisRS-like domain of human GCN2 To Be Published
8T7S	SpRYmer bound to NAC PAM DNA Descriptor: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ... Authors: Hibshman, G.N, Bravo, J.P.K, Taylor, D.W. Deposit date: 2023-06-21 Release date: 2024-05-01 Last modified: 2024-05-15 Method: ELECTRON MICROSCOPY (3.01 Å) Cite: Unraveling the mechanisms of PAMless DNA interrogation by SpRY-Cas9. Nat Commun, 15, 2024
8T7Q	Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors Descriptor: 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 Authors: Tang, Y, Nguyen, V, Wilbur, J.D. Deposit date: 2023-06-21 Release date: 2023-10-11 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
8T7P	X-ray crystal structure of PfA-M1(M462S) Descriptor: Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ... Authors: Yang, W, Drinkwater, N, Webb, C.T, McGowan, S. Deposit date: 2023-06-21 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (2 Å) Cite: Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase. To Be Published
8T7M	Iron and Copper bound HftA from Treponema denticola Descriptor: COPPER (II) ION, FE (III) ION, Pathogen-specific surface antigen, ... Authors: Corbett, B.W, Suits, M.D. Deposit date: 2023-06-20 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Structural and functional characterization of the high-affinity ferrous iron transport protein HftA from Treponema denticola To Be Published
8T7L	Copper bound HftA from Treponema denticola Descriptor: COPPER (II) ION, Pathogen-specific surface antigen, putative, ... Authors: Corbett, B.W, Suits, M.D. Deposit date: 2023-06-20 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Structural and functional characterization of the high-affinity ferrous iron transport protein HftA from Treponema denticola To Be Published

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