1XDY
 
 | | Structural and Biochemical Identification of a Novel Bacterial Oxidoreductase, W-containing cofactor | | Descriptor: | Bacterial Sulfite Oxidase, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, TUNGSTEN ION | | Authors: | Loschi, L, Brokx, S.J, Hills, T.L, Zhang, G, Bertero, M.G, Lovering, A.L, Weiner, J.H, Strynadka, N.C. | | Deposit date: | 2004-09-08 | | Release date: | 2004-10-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and biochemical identification of a novel bacterial oxidoreductase.
J.Biol.Chem., 279, 2004
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8FN2
 | | The structure of a 50S ribosomal subunit in the Lyme disease pathogen Borreliella burgdorferi | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | | Authors: | Sharma, M.R, Manjari, S.R, Agrawal, E.K, Keshavan, P, Koripella, R.K, Majumdar, S, Marcinkiewicz, A.L, Lin, Y.P, Agrawal, R.K, Banavali, N.K. | | Deposit date: | 2022-12-26 | | Release date: | 2023-11-08 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The structure of a hibernating ribosome in a Lyme disease pathogen.
Nat Commun, 14, 2023
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8TSA
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 2 | | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TS8
 | | p85alpha/p110alpha heterodimer H1047R mutant | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TSD
 | | Human PI3K p85alpha/p110alpha bound to RLY-2608 | | Descriptor: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TSB
 | | Human PI3K p85alpha/p110alpha bound to compound 2 | | Descriptor: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.53 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TSC
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 3 | | Descriptor: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TS7
 | | Human PI3K p85alpha/p110alpha | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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8TS9
 | | Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | | Descriptor: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
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4CTS
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1LB0
 | | NMR Structure of HIV-1 gp41 659-671 13-mer peptide | | Descriptor: | GP41 | | Authors: | Biron, Z. | | Deposit date: | 2002-04-01 | | Release date: | 2002-12-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A Monomeric 3(10)-Helix Is Formed in Water by a 13-Residue Peptide
Representing the Neutralizing Determinant of HIV-1 on gp41(,).
Biochemistry, 41, 2002
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1LJO
 | | CRYSTAL STRUCTURE OF AN SM-LIKE PROTEIN (AF-SM2) FROM ARCHAEOGLOBUS FULGIDUS AT 1.95A RESOLUTION | | Descriptor: | ACETIC ACID, Archaeal Sm-like protein AF-Sm2, CADMIUM ION | | Authors: | Toro, I, Basquin, J, Teo-Dreher, H, Suck, D. | | Deposit date: | 2002-04-22 | | Release date: | 2002-07-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Archaeal Sm proteins form heptameric and hexameric complexes: crystal structures of the Sm1 and Sm2 proteins from the hyperthermophile Archaeoglobus fulgidus.
J.Mol.Biol., 320, 2002
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8FVZ
 | | PiPT Y150A | | Descriptor: | CITRATE ANION, PHOSPHATE ION, Phosphate transporter | | Authors: | Gupta, M, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2023-01-20 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Roles of PiPT residues in phosphate binding and transport tested by mutagenesis
To be published
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8FVY
 | | 40S subunit of the Giardia lamblia 80S ribosome | | Descriptor: | 18S rRNA, 40S ribosomal protein S21, 40S ribosomal protein S25, ... | | Authors: | Eiler, D.R, Wimberly, B.T, Bilodeau, D.Y, Rissland, O.S, Kieft, J.S. | | Deposit date: | 2023-01-20 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | The Giardia lamblia ribosome structure reveals divergence in several biological pathways and the mode of emetine function.
Structure, 32, 2024
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5JHI
 | | Solution structure of the de novo mini protein gEHE_06 | | Descriptor: | W35 | | Authors: | Buchko, G.W, Bahl, C.D, Gilmore, J.M, Pulavarti, S.V, Baker, D, Szyperski, T. | | Deposit date: | 2016-04-21 | | Release date: | 2016-09-28 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
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6EXV
 | | Structure of mammalian RNA polymerase II elongation complex inhibited by Alpha-amanitin | | Descriptor: | AMATOXIN, DNA (25-MER), DNA (36-MER), ... | | Authors: | Liu, X, Farnung, L, Wigge, C, Cramer, P. | | Deposit date: | 2017-11-09 | | Release date: | 2018-03-21 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structure of a mammalian RNA polymerase II elongation complex inhibited by alpha-amanitin.
J. Biol. Chem., 293, 2018
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3ZUP
 | | The 3-dimensional structure of MpgP from Thermus thermophilus HB27, in complex with the alpha-mannosylglycerate and orthophosphate reaction products. | | Descriptor: | (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid, MAGNESIUM ION, MANNOSYL-3-PHOSPHOGLYCERATE PHOSPHATASE, ... | | Authors: | Goncalves, S, Esteves, A.M, Santos, H, Borges, N, Matias, P.M. | | Deposit date: | 2011-07-19 | | Release date: | 2011-10-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | The Three-Dimensional Structure of Mannosyl-3-Phosphoglycerate Phosphatase from Thermus Thermophilus Hb27: A New Member of the Haloalkanoic Acid Dehalogenase Superfamily.
Biochemistry, 50, 2011
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8GIN
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8GN9
 | | SPFH domain of Pyrococcus horikoshii stomatin | | Descriptor: | SODIUM ION, Stomatin homolog PH1511 | | Authors: | Komatsu, T, Matsui, I, Yokoyama, H. | | Deposit date: | 2022-08-23 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and mutational studies suggest key residues to determine whether stomatin SPFH domains form dimers or trimers.
Biochem Biophys Rep, 32, 2022
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2OZX
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4YXT
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4YXV
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8E89
 | | Human DNA polymerase eta-DNA-rU-ended primer-binary complex | | Descriptor: | DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA polymerase eta, DNA/RNA (5'-D(*AP*GP*CP*GP*TP*CP*A)-R(P*U)-3') | | Authors: | Chang, C, Gao, Y. | | Deposit date: | 2022-08-25 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Primer terminal ribonucleotide alters the active site dynamics of DNA polymerase eta and reduces DNA synthesis fidelity.
J.Biol.Chem., 299, 2023
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8TUD
 | | IgG1 Fc Heterodimer combYSelect2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain | | Authors: | Azzam, T, Du, J.J, Sundberg, E.J. | | Deposit date: | 2023-08-16 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Combinatorially restricted computational design of protein-protein interfaces to produce IgG heterodimers.
Sci Adv, 10, 2024
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8GNK
 | | CryoEM structure of cytosol-facing, substrate-bound ratGAT1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CHOLESTEROL, ... | | Authors: | Nayak, S.R, Joseph, D, Penmatsa, A. | | Deposit date: | 2022-08-24 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of GABA transporter 1 reveals substrate recognition and transport mechanism.
Nat.Struct.Mol.Biol., 30, 2023
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